SCHEMBL3588865

SCHEMBL3588865

O=C(Nc1c[nH]nc1-c1ccccn1)NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
PKM P14618 1/20 0.43
P2RY1 P47900 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MET P08581 1/20 0.41
KDR P35968 1/20 0.41
MERTK Q12866 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GABRA5 P31644 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
SCHEMBL13314757 0.94 KMT2A (0.54) KMT2AMEN1HTTSMN1; SMN2PKM
SCHEMBL23719268 0.81 ADORA3 (0.51) KMT2AMEN1HTTSMN1; SMN2P2RY1
SCHEMBL3579872 0.79 ALDH1A1 (0.47) KMT2AMEN1HTTSMN1; SMN2PKM
SCHEMBL13314749 0.78 SMN1; SMN2 (0.50) HTTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL3582021 0.77 KMT2A (0.45) KMT2AMEN1SMN1; SMN2P2RY1ALDH1A1
SCHEMBL23719197 0.77 KMT2A (0.59) KMT2AMEN1HTTSMN1; SMN2PKM
SCHEMBL22828397 0.76 TRPV1 (0.47) TRPV1
SCHEMBL22235741 0.74 PDPK1 (0.61) KMT2AMEN1SMN1; SMN2PKMKDM4E
SCHEMBL22828392 0.74 EPHX1 (0.42) KMT2AMEN1HTTSMN1; SMN2PKM
SCHEMBL22258404 0.74 KMT2A (0.41) KMT2AMEN1HTTSMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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 (1 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 KMT2A 586/4885MEN1 1244/4885HTT 4368/4885

“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.