SCHEMBL13106912

SCHEMBL13106912

Cc1c2cc(NCc3ccc(F)cc3)ccc2nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
NTRK1 P04629 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
CHRM4 P08173 2/20 0.43
PTK2 Q05397 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
PDE2A O00408 1/20 0.42
USP10 Q14694 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
USP13 Q92995 1/20 0.42
QPCT Q16769 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL14077552 0.87 RAB9A (0.56) MCHR1CHRM4NPC1RAB9AKDM4E
SCHEMBL13106915 0.79 NPC1 (0.46) PTK2NPC1RAB9AHTR2CKDM4E
SCHEMBL14077556 0.78 RAB9A (0.52) CHRM4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13106167 0.76 MCHR1 (0.47) MCHR1CHRM4KDM4EALDH1A1QPCT
SCHEMBL13106923 0.76 RAB9A (0.60) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13106082 0.75 KDM4E (0.49) PTK2NPC1RAB9AKDM4EALDH1A1
SCHEMBL14077557 0.75 QPCT (0.53) MCHR1CHRM4SMN1; SMN2QPCT
SCHEMBL13106919 0.73 MAPT (0.41) MCHR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14077295 0.72 NPC1 (0.47) PTK2NPC1RAB9AKDM4EALDH1A1
SCHEMBL13106965 0.72 RAB9A (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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 (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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 MCHR1 4452/4885NTRK1 4763/4885NTRK3 3229/4885

“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.