SCHEMBL20076032

SCHEMBL20076032

Cc1nc2[nH]c(-c3ccc(Cl)cc3)cc(=O)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HAVCR2 Q8TDQ0 1/20 0.44
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL20076009 0.86 ALDH1A1 (0.45) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL20075849 0.86 ALDH1A1 (0.51) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL20076034 0.85 MEN1 (0.48) NPC1RAB9AHAVCR2MEN1KMT2A
SCHEMBL15660543 0.84 KDM4E (0.46) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17127379 0.79 ADORA3 (0.54) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL20076013 0.78 PIK3C3 (0.37) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL20076033 0.78 TP53 (0.47) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL15661030 0.77 CDC7 (0.46) MAPK1
SCHEMBL13778113 0.76 ACHE (0.44) KDM4ESMN1; SMN2MAPT
SCHEMBL15043143 0.76 NPC1 (0.49) NPC1RAB9AKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US claimed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071282-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20200048259-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C NPC1 4054/4885RAB9A 3452/4885KDM4E 11/4885

“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.