SCHEMBL5211624

SCHEMBL5211624

Cc1ccnc(C=Cc2nn(C3CCCCO3)c3cc([N+](=O)[O-])ccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
RET P07949 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
ATR Q13535 1/20 0.32
F2R P25116 1/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
DGAT2 Q96PD7 1/20 0.32
BLM P54132 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
CTRB1 P17538 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL30295592 0.88 ALDH1A1 (0.43) CYP1A2HPGDRETMAPTALDH1A1
SCHEMBL4065872 0.88 ALDH1A1 (0.43) CYP1A2HPGDRETMAPTALDH1A1
SCHEMBL4065875 0.88 ALDH1A1 (0.43) CYP1A2HPGDRETMAPTALDH1A1
SCHEMBL5207301 0.88 CYP1A2 (0.34) CYP1A2HPGDATRMAPTALDH1A1
SCHEMBL5207821 0.85 RET (0.39) RETCYP4F2CYP4A11ATRF2R
SCHEMBL6069994 0.82 RET (0.35) HPGDRETCYP4F2CYP4A11ATR
SCHEMBL30804956 0.81 CYP1A2 (0.38) CYP1A2HPGDMAPTALDH1A1DGAT2
SCHEMBL29183708 0.81 CYP1A2 (0.38) CYP1A2HPGDMAPTALDH1A1DGAT2
SCHEMBL5210462 0.80 CYP1A2 (0.38) CYP1A2HPGDMAPTALDH1A1DGAT2
SCHEMBL31475159 0.80 CYP1A2 (0.35) CYP1A2HPGDMAPTALDH1A1BLM

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 3 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

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-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 CYP1A2 2108/4885HPGD 1080/4885RET 323/4885

“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.