SCHEMBL232012

SCHEMBL232012

Cc1cnc(-n2ccc(C)n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TDO2 P48775 1/20 0.42
HTT P42858 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
BACE1 P56817 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
NOS1 P29475 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL19216317 0.83 MAPT (0.50) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL14757505 0.83 MAPT (0.50) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL18855227 0.82 MAPT (0.49) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL179317 0.80 MAPT (0.47) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL15306569 0.80 MAPT (0.47) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL2562732 0.79 MAPT (0.46) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL10147813 0.78 RAB9A (0.53) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL8516575 0.78 RAB9A (0.45) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL21028593 0.78 MAPT (0.45) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL12232008 0.77 MAPT (0.52) MAPTRAB9ANPC1ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-9828377-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 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 (8 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MAPT 1903/4885RAB9A 1042/4885NPC1 1132/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA MAPT 1518/4885RAB9A 1166/4885NPC1 1925/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MAPT 1903/4885RAB9A 1042/4885NPC1 1132/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MAPT 2419/4885RAB9A 1186/4885NPC1 1337/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA MAPT 1095/4885RAB9A 890/4885NPC1 1595/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MAPT 1966/4885RAB9A 867/4885NPC1 1539/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC MAPT 3317/4885RAB9A 4039/4885NPC1 3921/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MAPT 4584/4885RAB9A 1648/4885NPC1 3237/4885

“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.