SCHEMBL1415081

SCHEMBL1415081

O=Cc1ccc2[nH]nc(OCCN3CCOCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.46
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ MET P08581 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAOA P21397 1/20 0.40

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
SCHEMBL2295466 0.90 MET (0.49) HPGDMAOBMETJAK2PARP1
SCHEMBL15521007 0.84 GRM4 (0.49) GRM4MEN1KMT2AMAOBMAPT
SCHEMBL15516835 0.81 CNR2 (0.52) GRM4HPGDKMT2AMAPTFLT3
SCHEMBL14735046 0.81 PARP1 (0.50) HPGDMEN1KMT2ACHEK1ALDH1A1
SCHEMBL3362693 0.81 MEN1 (0.56) GRM4MEN1KMT2AMAOBALDH1A1
SCHEMBL2300086 0.78 BTK (0.40) GRM4HPGDMAPTALDH1A1KDM4E
SCHEMBL4433001 0.77 JAK2 (0.49) GRM4MEN1KMT2ACHEK1LRRK2
SCHEMBL2928975 0.77 GRM4 (0.49) GRM4MEN1KMT2AMAOBMAPT
SCHEMBL1415051 0.76 MAPK1 (0.47) GRM4METALDH1A1KDM4E
SCHEMBL1411962 0.75 ALDH1A1 (0.44) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 — — US disclosed
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 — — US disclosed
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 — — US disclosed
EP-2294062-B1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-08-21 — — EP disclosed
EP-2294062-B1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-08-21 — — EP disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 — — US disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 — — US disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 — — US disclosed
EP-2294062-A1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-16 — — EP disclosed
WO-2009149837-A1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 — — WO disclosed
WO-2009149837-A1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 — — 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 (1 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-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF MET, ERBB4, RET GRM4 1194/4885HPGD 2533/4885MEN1 135/4885

“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.

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