SCHEMBL5212558

SCHEMBL5212558

Cc1cc(C)nc(C=Cc2nn(C3CCCCO3)c3cc(Nc4ncccc4C(=O)NCC#CCO)ccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
GRM4 Q14833 8/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PDPK1 O15530 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
DGAT2 Q96PD7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5207568 0.91 GRM4 (0.33) KDRGRM4HCRTR1HCRTR2PDPK1
SCHEMBL5209734 0.89 MEN1 (0.40) GRM4HCRTR1HCRTR2MEN1LMNA
SCHEMBL5209727 0.89 MEN1 (0.40) GRM4HCRTR1HCRTR2MEN1LMNA
SCHEMBL5206482 0.88 GRM4 (0.36) GRM4HCRTR1HCRTR2MEN1LMNA
SCHEMBL5206488 0.88 GRM4 (0.36) GRM4HCRTR1HCRTR2MEN1LMNA
SCHEMBL5210824 0.85 KDR (0.40) KDRPDPK1DGAT2
SCHEMBL5210223 0.84 KDR (0.45) KDRGRM4PDPK1DGAT2
SCHEMBL5210274 0.84 KDR (0.48) KDRHCRTR1HCRTR2DGAT2ALDH1A1
SCHEMBL5208432 0.81 KDR (0.37) KDRDGAT2
SCHEMBL5213671 0.80 KDR (0.37) KDR

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 4 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
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

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 KDR 88/4885GRM4 4225/4885HCRTR1 4667/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDR 88/4885GRM4 4225/4885HCRTR1 4667/4885

“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.