SCHEMBL5206488

SCHEMBL5206488

COC(=O)c1cccnc1Nc1ccc2c(C=Cc3cc(C)cc(C)n3)nn(C3CCCCO3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 11/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ATR Q13535 2/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TGFBR1 P36897 1/20 0.31
AHR P35869 1/20 0.31
DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL5206482 1.00 GRM4 (0.36) GRM4HCRTR1HCRTR2ATRALDH1A1
SCHEMBL5209727 0.93 MEN1 (0.40) GRM4HCRTR1HCRTR2ATRALDH1A1
SCHEMBL5209734 0.93 MEN1 (0.40) GRM4HCRTR1HCRTR2ATRALDH1A1
SCHEMBL5210148 0.89 ALDH1A1 (0.37) HCRTR1HCRTR2ATRALDH1A1SMN1; SMN2
SCHEMBL5212558 0.88 KDR (0.35) GRM4HCRTR1HCRTR2ALDH1A1MAPT
SCHEMBL5207568 0.85 GRM4 (0.33) GRM4HCRTR1HCRTR2
SCHEMBL5209198 0.83 DGAT2 (0.34) HCRTR1HCRTR2ATRALDH1A1SMN1; SMN2
SCHEMBL5208752 0.82 KDM4E (0.39) GRM4ATRALDH1A1SMN1; SMN2MAPT
SCHEMBL5210274 0.80 KDR (0.48) HCRTR1HCRTR2ALDH1A1NPC1DGAT2
SCHEMBL5210824 0.79 KDR (0.40) NPC1DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585743-B1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER (US) 2007-05-23 EP disclosed
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS INC. 2006-07-20 US disclosed
US-7053107-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1585743-A1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER INC. (US) 2005-10-19 EP disclosed
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004056806-A1 2-(1H-INDAZOL-6-YLAMINO)-BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTALMIC DISEASES PFIZER INC. (US) 2004-07-08 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 (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-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 GRM4 4225/4885HCRTR1 4667/4885HCRTR2 4432/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 GRM4 4225/4885HCRTR1 4667/4885HCRTR2 4432/4885

“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.