SCHEMBL215190

SCHEMBL215190

CCCCCNc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
KCNH3 Q9ULD8 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 2/20 0.50
TRPV1 Q8NER1 6/20 0.49
GBA1 P04062 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
KMT2A Q03164 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
FAAH O00519 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL5604031 0.98 LMNA (0.57) LMNAPOLBKCNH3TDP1L3MBTL1
SCHEMBL28315014 0.98 LMNA (0.57) LMNAPOLBKCNH3TDP1L3MBTL1
SCHEMBL31066863 0.98 LMNA (0.57) LMNAPOLBKCNH3TDP1L3MBTL1
SCHEMBL31066874 0.98 LMNA (0.57) LMNAPOLBKCNH3TDP1L3MBTL1
SCHEMBL4507702 0.95 LMNA (0.53) LMNAPOLBKCNH3TDP1L3MBTL1
SCHEMBL15922756 0.89 LMNA (0.50) LMNAPOLBKCNH3TDP1L3MBTL1
SCHEMBL3643530 0.87 RAB9A (0.54) LMNAPOLBRAB9ATRPV1ALDH1A1
SCHEMBL11490915 0.83 LMNA (0.52) LMNAPOLBKCNH3TDP1L3MBTL1
Pyridine SCHEMBL14855721 0.81 KCNH3 (0.55) LMNAPOLBKCNH3RAB9AGBA1
Pyridine SCHEMBL27500063 0.81 KCNH3 (0.55) LMNAPOLBKCNH3RAB9AGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016014390-A1 COMPOSITIONS AND METHODS FOR MEK INHIBITOR COMBINATION THERAPY IN THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-01-28 WO claimed
US-4718934-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1988-01-12 US claimed
CN-104788365-B Pyrazinamide derivative, preparation method and application 上海艾力斯医药科技有限公司 2018-08-10 CN disclosed
US-9975853-B2 Tetrahydroisoquinolinone derivatives and their use in the inhibition of the HSP70 protein JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2018-05-22 US disclosed
US-20170152229-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2017-06-01 US disclosed
WO-2016014390-A1 COMPOSITIONS AND METHODS FOR MEK INHIBITOR COMBINATION THERAPY IN THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-01-28 WO disclosed
CN-104788365-A Isonicotinamide derivative, preparation method and applications thereof ALLIST PHARMACEUTICALS INC 2015-07-22 CN disclosed
US-9045429-B2 Substituted phenoxypyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-02 US disclosed
CN-101065358-B 3-arylamino pyridine derivatives MERCK SERONO SA 2015-03-11 CN disclosed
CN-101065358-B 3-arylamino pyridine derivatives MERCK SERONO SA 2015-03-11 CN disclosed
CN-101065358-B 3-arylamino pyridine derivatives MERCK SERONO SA 2015-03-11 CN disclosed
US-20090093462-A1 3-Arylamino pyridine derivatives MERCK SERONO SA (CH) 2009-04-09 US disclosed
CN-101065358-A 3-arylamino pyridine derivatives APPLIED RESEARCH SYSTEMS (AN) 2007-10-31 CN disclosed
CN-101065358-A 3-arylamino pyridine derivatives APPLIED RESEARCH SYSTEMS (AN) 2007-10-31 CN disclosed
CN-101065358-A 3-arylamino pyridine derivatives APPLIED RESEARCH SYSTEMS (AN) 2007-10-31 CN disclosed
EP-1802579-A1 3-ARYLAMINO PYRIDINE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2007-07-04 EP disclosed
EP-1802579-A1 3-ARYLAMINO PYRIDINE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2007-07-04 EP disclosed
WO-2006045514-A1 3-ARYLAMINO PYRIDINE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2006-05-04 WO disclosed
WO-2006045514-A1 3-ARYLAMINO PYRIDINE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2006-05-04 WO disclosed
US-4117135-A NOVEL 5,6,7,8-TETRAHYDRO-5-QUINOLINES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING, A.G. 1978-09-26 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 (2 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-20170152229-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN HSPH1, HSP90AB1, HSP90AB2P LMNA 4452/4885POLB 2845/4885KCNH3 4506/4885
US-20090093462-A1 3-Arylamino pyridine derivatives CDK4, BRAF, CDK3 LMNA 2488/4885POLB 2155/4885KCNH3 3223/4885

“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.