SCHEMBL5094282

SCHEMBL5094282

N#CCc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CYP19A1 P11511 1/20 0.50
ATP4A P20648 3/20 0.48
ATP4B P51164 3/20 0.48
RAB9A P51151 6/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 6/20 0.43
GSTO1 P78417 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL11386656 0.81 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL17887291 0.81 RAB9A (0.61) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL12328084 0.81 CYP19A1 (0.53) ALDH1A1MAPTKDM4EKMT2ACYP19A1
SCHEMBL250308 0.81 ATP4A (0.54) ALDH1A1MAPTKDM4EKMT2ACYP19A1
SCHEMBL203816 0.81 CYP19A1 (0.56) ALDH1A1MAPTKDM4EKMT2ACYP19A1
SCHEMBL2223579 0.79 LOXL2 (0.58) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL5101090 0.78 HTR3A (0.56) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL17887326 0.78 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL13017084 0.77 CYP19A1 (0.49) ALDH1A1MAPTKDM4EKMT2ACYP19A1
SCHEMBL2226546 0.76 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EKMT2AMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
EP-1527070-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2005-05-04 EP disclosed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 WO disclosed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 WO 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 (3 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-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators PRKACA, CSNK1A1, PRKACG ALDH1A1 3474/4885MAPT 3106/4885KDM4E 1417/4885
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A ALDH1A1 417/4885MAPT 4568/4885KDM4E 245/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A ALDH1A1 417/4885MAPT 4568/4885KDM4E 245/4885

“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.