SCHEMBL464392

SCHEMBL464392

CCc1ccc2c(c1)nc(C)n2C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
RAB9A P51151 11/20 0.57
NPC1 O15118 9/20 0.57
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.43
POLB P06746 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19068762 0.86 MAPT (0.56) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL13073711 0.86 KDM4E (0.51) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL29989145 0.84 RAB9A (0.57) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL553989 0.84 RAB9A (0.56) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL29268167 0.84 RAB9A (0.57) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL3597739 0.84 RAB9A (0.56) MAPTRAB9ANPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11372370 0.83 RAB9A (0.56) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL16152949 0.82 RAB9A (0.42) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL13034825 0.81 RAB9A (0.54) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL23490723 0.81 NPC1 (0.46) MAPTRAB9ANPC1KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9461261-B2 Organic compounds and organic light-emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-10-04 US disclosed
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2015-05-21 US disclosed
US-20150090963-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 US disclosed
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
US-20140072633-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-03-13 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100285144-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-11-11 US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH MAPT 44/4885RAB9A 3217/4885NPC1 2305/4885
US-20140072633-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS AND RELATED METHODS OF USE EPOR, TTPA, PSAP MAPT 63/4885RAB9A 2582/4885NPC1 1847/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MAPT 3203/4885RAB9A 1468/4885NPC1 121/4885
US-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY DDOST, SDCBP, STT3B MAPT 548/4885RAB9A 3721/4885NPC1 431/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 MAPT 1863/4885RAB9A 1965/4885NPC1 1606/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB MAPT 2999/4885RAB9A 1738/4885NPC1 715/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MAPT 2965/4885RAB9A 2521/4885NPC1 1505/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP MAPT 1897/4885RAB9A 2507/4885NPC1 531/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 MAPT 2965/4885RAB9A 2521/4885NPC1 1505/4885
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A MAPT 478/4885RAB9A 3829/4885NPC1 461/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP MAPT 1897/4885RAB9A 2507/4885NPC1 531/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC MAPT 453/4885RAB9A 2645/4885NPC1 118/4885
US-20100285144-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE EPOR, TTPA, PDS5A MAPT 50/4885RAB9A 2764/4885NPC1 1859/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.