SCHEMBL924030

SCHEMBL924030

COC(=O)c1ccc(C2=NN=C(N)C2=NNc2cccc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
DEPTOR Q8TB45 1/20 0.41
LMNA P02545 3/20 0.39
MAP2K4 P45985 1/20 0.39
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
IKBKE Q14164 1/20 0.35

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
SCHEMBL924029 1.00 NPC1 (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL923188 0.88 DEPTOR (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL923189 0.88 DEPTOR (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL921502 0.85 DEPTOR (0.44) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL921503 0.85 DEPTOR (0.44) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL922290 0.83 DEPTOR (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL922291 0.83 DEPTOR (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL922690 0.82 DEPTOR (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL922689 0.82 DEPTOR (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL923895 0.81 DEPTOR (0.53) NPC1RAB9AKMT2AMEN1MAPT

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 8 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-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 NPC1 2611/4885RAB9A 4545/4885KMT2A 2931/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 NPC1 2611/4885RAB9A 4545/4885KMT2A 2931/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC NPC1 3205/4885RAB9A 3555/4885KMT2A 4148/4885

“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.