SCHEMBL921530

SCHEMBL921530

NC1=NN=C(N)C1=NNc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 7/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
CASP1 P29466 1/20 0.49
EGFR P00533 1/20 0.46
PABPC1 P11940 1/20 0.44
RAB9A P51151 8/20 0.44
DYRK1A Q13627 1/20 0.43

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
SCHEMBL922184 0.88 NPC1 (0.41) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL922185 0.88 NPC1 (0.41) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL922235 0.85 NPC1 (0.39) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL922237 0.85 NPC1 (0.39) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL923261 0.83 NPC1 (0.38) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL923262 0.83 NPC1 (0.38) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL923769 0.82 PIK3CA (0.38) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL923768 0.82 PIK3CA (0.38) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL922012 0.81 NPSR1 (0.49) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL921828 0.80 ALDH1A1 (0.42) NPC1MAPTPOLBMEN1KMT2A

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 15 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
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP claimed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO 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 NPC1 2611/4885MAPT 4573/4885POLB 1521/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 NPC1 2611/4885MAPT 4573/4885POLB 1521/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC NPC1 3205/4885MAPT 4000/4885POLB 1409/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C NPC1 2227/4885MAPT 4486/4885POLB 1308/4885

“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.