SCHEMBL2947016

SCHEMBL2947016

Cc1nc2cc(Cl)c(F)cc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TXN P10599 1/20 0.47
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
PDE10A Q9Y233 1/20 0.44
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PARP1 P09874 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL8265257 0.93 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL316047 0.84 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL7991998 0.84 KDM4E (0.55) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL1193135 0.81 MAPT (0.52) ALDH1A1MAPTKDM4EHPGDTXN
SCHEMBL8264566 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL12819467 0.81 MAPT (0.51) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL10268918 0.79 MAPT (0.50) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL30390720 0.79 MAPT (0.50) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL24463172 0.78 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL12430871 0.78 POLB (0.49) ALDH1A1MAPTKDM4EPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
US-9670463-B2 Inhibition and enhancement of reprogramming by chromatin modifying enzymes CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-06-06 US disclosed
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2017-05-18 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-9446064-B2 Combination therapy for treating cancer Epizyme, Inc. (US) 2016-09-20 US disclosed
US-9394310-B2 Carbocycle-substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2016-07-19 US disclosed
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2016-02-18 US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2015-12-03 US disclosed
US-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2015-10-08 US disclosed
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 US disclosed
US-7709519-B2 Benzimidazolylidene propane-1,3 dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-05-04 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 EP disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 EP 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 (10 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-20150284422-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 ALDH1A1 2404/4885MAPT 130/4885KDM4E 66/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885MAPT 4114/4885KDM4E 1618/4885
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof GPER1, GNRHR, AR ALDH1A1 719/4885MAPT 3205/4885KDM4E 392/4885
US-20160045531-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 ALDH1A1 1001/4885MAPT 2409/4885KDM4E 115/4885
US-20150342979-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 ALDH1A1 1884/4885MAPT 2128/4885KDM4E 63/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 ALDH1A1 2404/4885MAPT 130/4885KDM4E 66/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 ALDH1A1 1001/4885MAPT 2409/4885KDM4E 115/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR ALDH1A1 1046/4885MAPT 3254/4885KDM4E 277/4885
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885MAPT 1522/4885KDM4E 235/4885
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 ALDH1A1 3546/4885MAPT 1008/4885KDM4E 1220/4885

“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.