SCHEMBL5210462

SCHEMBL5210462

C=Cc1nn(C2CCCCO2)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 3/20 0.34
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DGAT2 Q96PD7 1/20 0.33
CNR2 P34972 1/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL30804956 0.90 CYP1A2 (0.38) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL29183708 0.90 CYP1A2 (0.38) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL25917375 0.83 CYP1A2 (0.39) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL4048725 0.83 CYP1A2 (0.39) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL31475214 0.83 CYP1A2 (0.39) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL4065872 0.82 ALDH1A1 (0.43) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL30295592 0.82 ALDH1A1 (0.43) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL4065875 0.82 ALDH1A1 (0.43) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL12821556 0.81 CYP1A2 (0.38) CYP1A2HPGDALDH1A1MAPTRAB9A
SCHEMBL1026965 0.81 KMT2A (0.34) CYP1A2HPGDALDH1A1MAPT

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 CYP1A2 2108/4885HPGD 1080/4885ALDH1A1 2794/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 CYP1A2 2108/4885HPGD 1080/4885ALDH1A1 2794/4885

“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.