SCHEMBL923768

SCHEMBL923768

Cn1cccc1C1=NN=C(N)/C1=N/Nc1ccc2ncccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
NPC1 O15118 4/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TGFBR1 P36897 1/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL923769 1.00 PIK3CA (0.38) PIK3CAMTORNPC1MAPTPOLB
SCHEMBL921530 0.82 NPC1 (0.49) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL922479 0.79 DEPTOR (0.36) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL922477 0.79 DEPTOR (0.36) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL923309 0.78 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL923310 0.78 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL922185 0.76 NPC1 (0.41) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL922184 0.76 NPC1 (0.41) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL922237 0.76 NPC1 (0.39) NPC1MAPTPOLBMEN1KMT2A
SCHEMBL922235 0.76 NPC1 (0.39) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US claimed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PIK3CA 187/4885MTOR 130/4885NPC1 2611/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 PIK3CA 187/4885MTOR 130/4885NPC1 2611/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC PIK3CA 122/4885MTOR 153/4885NPC1 3205/4885

“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.