SCHEMBL13106945

SCHEMBL13106945

Cc1nn(C)c2cc(F)c(NCc3ccc(Cl)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
GALR3 O60755 1/20 0.42
LMNA P02545 1/20 0.42
NR2F2 P24468 1/20 0.42
MCHR1 Q99705 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
BRD4 O60885 1/20 0.39
KAT2B Q92831 1/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL13106989 0.86 TRPM5 (0.39) SMN1; SMN2RAB9ANPC1KMT2ATRPM5
SCHEMBL13106947 0.81 CHRM4 (0.43) SMN1; SMN2RAB9ANPC1KMT2AMCHR1
SCHEMBL13106926 0.79 RAB9A (0.56) ADORA2AADORA2BSMN1; SMN2RAB9ANPC1
SCHEMBL13106985 0.76 TP53 (0.40) SMN1; SMN2RAB9ANPC1KMT2ATRPM5
SCHEMBL13106930 0.76 RAB9A (0.44) SMN1; SMN2RAB9ANPC1KMT2AGALR3
SCHEMBL13122115 0.75 HSD17B10 (0.46) KMT2ABRD4MAPK1HSD17B10POLB
SCHEMBL21628164 0.71 PI4KB (0.45) SMN1; SMN2RAB9ANPC1MCHR1
SCHEMBL13106915 0.71 NPC1 (0.46) ADORA2AADORA2BSMN1; SMN2RAB9ANPC1
SCHEMBL13106278 0.71 ADORA2A (0.60) ADORA2AADORA2BMCHR1MAPTCACNA1H
SCHEMBL13106186 0.70 ADORA2A (0.69) ADORA2AADORA2BBRD4HTTPDE2A

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 ADORA2A 3466/4885ADORA2B 3798/4885SMN1; SMN2 4604/4885

“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.