SCHEMBL921737

SCHEMBL921737

NC1=NN=C(N)C1=NNc1ccccc1CO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CCNT1 O60563 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
APOBEC3G Q9HC16 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ADORA2A P29274 1/20 0.31
HTR2B P41595 1/20 0.31
GPR68 Q15743 1/20 0.31
LMNA P02545 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
SCHEMBL25291704 0.78 RAB9A (0.36) ALDH1A1RAB9ANPC1
SCHEMBL924008 0.75 L3MBTL1 (0.38) ALDH1A1HPGDRAB9ANPC1LMNA
SCHEMBL922338 0.75 MAPT (0.41) ALDH1A1HPGDRAB9ANPC1LMNA
SCHEMBL26122031 0.72 REV1 (0.33)
SCHEMBL923224 0.70 RXFP1 (0.41) ALDH1A1
SCHEMBL14365420 0.70 HPGD (0.43) ALDH1A1HPGDAPOBEC3GRAB9ANPC1
SCHEMBL922071 0.70 DEPTOR (0.53) ALDH1A1HPGDRAB9ANPC1LMNA
SCHEMBL26512508 0.68 NAPRT (0.32) ALDH1A1RAB9ANPC1
SCHEMBL24728413 0.67 ALDH1A1 (0.52) ALDH1A1HPGDAPOBEC3GRAB9ANPC1
SCHEMBL923564 0.66 CYP3A4 (0.35) ALDH1A1RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US claimed
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US claimed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 US claimed
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US disclosed
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US disclosed
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 US disclosed
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO disclosed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 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 (4 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885HPGD 179/4885CCNT1 47/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885HPGD 179/4885CCNT1 47/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC ALDH1A1 3393/4885HPGD 1273/4885CCNT1 36/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C ALDH1A1 2487/4885HPGD 538/4885CCNT1 44/4885

“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.