SCHEMBL5125014

SCHEMBL5125014

Cc1scnc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.50
GAK O14976 1/20 0.41
ALK Q9UM73 5/20 0.40
TGFBR1 P36897 4/20 0.40
RIPK2 O43353 2/20 0.40
KDR P35968 2/20 0.40
EGFR P00533 1/20 0.40
MAPK14 Q16539 2/20 0.37
LCK P06239 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL5128632 0.88 TRPV1 (0.51) TRPV1GAKALKTGFBR1RIPK2
SCHEMBL5117433 0.88 TRPV1 (0.66) TRPV1GAKALKTGFBR1RIPK2
SCHEMBL5120843 0.84 TRPV1 (0.49) TRPV1GAKALKTGFBR1RIPK2
SCHEMBL5118647 0.83 TRPV1 (0.42) TRPV1GAKALKTGFBR1RIPK2
SCHEMBL1863072 0.81 TRPV1 (0.57) TRPV1GAKALKTGFBR1RIPK2
SCHEMBL1861672 0.80 TRPV1 (0.56) TRPV1GAKALKTGFBR1
SCHEMBL5929308 0.80 HTR1A (0.52) TRPV1GAKTGFBR1RIPK2KDR
SCHEMBL5122114 0.79 TRPV1 (0.50) TRPV1GAKALKTGFBR1RIPK2
SCHEMBL5929330 0.78 GAK (0.57) TRPV1GAKTGFBR1RIPK2KDR
SCHEMBL12629696 0.78 TRPV1 (0.49) TRPV1GAKALKTGFBR1RIPK2

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-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 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-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 TRPV1 477/4885GAK 3214/4885ALK 726/4885

“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.