SCHEMBL922012

SCHEMBL922012

NC1=NN=C(N)C1=NNc1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
KDR P35968 1/20 0.43
KDM4E B2RXH2 8/20 0.43
RAB9A P51151 10/20 0.42
NPC1 O15118 9/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.42
GFER P55789 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
MITF O75030 1/20 0.40
XBP1 P17861 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL921530 0.81 NPC1 (0.49) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL921828 0.78 ALDH1A1 (0.42) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL923017 0.74 EGFR (0.54)
SCHEMBL922071 0.73 DEPTOR (0.53) NPSR1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL7033706 0.72 NPSR1 (0.62) NPSR1KDRKDM4ERAB9ANPC1
SCHEMBL923879 0.71 PDGFRB (0.39) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL923878 0.71 PDGFRB (0.39) KDM4ERAB9ANPC1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL25250658 0.71 NPSR1 (0.60) NPSR1KDRKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL2081815 0.71 NPSR1 (0.60) NPSR1KDRKDM4ERAB9ANPC1
Hydrochloric Acid SCHEMBL8606417 0.71 NPSR1 (0.60) NPSR1KDRKDM4ERAB9ANPC1

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 NPSR1 4546/4885KDR 217/4885KDM4E 1193/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 NPSR1 4546/4885KDR 217/4885KDM4E 1193/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC NPSR1 4222/4885KDR 185/4885KDM4E 2760/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C NPSR1 4416/4885KDR 197/4885KDM4E 1067/4885

“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.