SCHEMBL954666

SCHEMBL954666

O=C(NCc1cccnc1)c1n[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
MAPK10 P53779 1/20 0.64
HSD17B10 Q99714 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
ALDH1A1 P00352 2/20 0.63
GAA P10253 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
USP2 O75604 1/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
YTHDC1 Q96MU7 1/20 0.55
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
ABCB1 P08183 1/20 0.53

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
SCHEMBL4517828 0.91 KDM4E (0.81) KDM4EMAPK10HSD17B10SMN1; SMN2NPC1
SCHEMBL24273162 0.89 RAB9A (0.77) KDM4EMAPK10HSD17B10SMN1; SMN2NPC1
SCHEMBL952028 0.86 SMN1; SMN2 (0.77) KDM4EMAPK10HSD17B10SMN1; SMN2NPC1
SCHEMBL952273 0.85 KDM4E (0.68) KDM4EMAPK10HSD17B10SMN1; SMN2NPC1
SCHEMBL6219544 0.85 DYRK1A (0.72)
SCHEMBL22308388 0.84 KDM4E (0.58) KDM4EMAPK10HSD17B10SMN1; SMN2NPC1
SCHEMBL20125806 0.82 DYRK1A (0.71)
SCHEMBL82407 0.81 DYRK1A (0.66)
SCHEMBL6221024 0.81 DYRK1A (0.56)
SCHEMBL12779513 0.81 PRKACA (0.72)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 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 (2 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 KDM4E 2696/4885MAPK10 4530/4885HSD17B10 1224/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 KDM4E 2696/4885MAPK10 4530/4885HSD17B10 1224/4885

“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.