SCHEMBL3907709

SCHEMBL3907709

Nc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc3scnc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TOP1 P11387 3/20 0.39
ADORA3 P0DMS8 1/20 0.38
RIPK2 O43353 2/20 0.36
LCK P06239 2/20 0.36
KDR P35968 2/20 0.36
TGFBR1 P36897 2/20 0.36
EPHX2 P34913 1/20 0.35
SCN4A P35499 1/20 0.35
DPP4 P27487 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL28071862 0.80 ADORA2A (0.59) MEN1KMT2ALTA4HADORA2AADORA1
SCHEMBL3898550 0.74 ADORA2A (0.72) MEN1KMT2AADORA2AADORA1TOP1
SCHEMBL3308104 0.74 KIF11 (0.43) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3910159 0.74 ADORA2A (0.53) MEN1NPC1RAB9AKMT2ALTA4H
SCHEMBL30375905 0.73 NPC1 (0.47) DYRK1AMEN1NPC1POLBRAB9A
SCHEMBL1538312 0.73 NPC1 (0.47) DYRK1AMEN1NPC1POLBRAB9A
SCHEMBL3898780 0.73 ADORA2A (0.51) MEN1KMT2ALTA4HADORA2AADORA1
SCHEMBL6478758 0.72 KDM4E (0.41) DYRK1AADORA2AADORA1TOP1ADORA3
SCHEMBL22234018 0.72 KIF11 (0.52) NPC1RAB9ALTA4HADORA2AADORA1
SCHEMBL3303277 0.71 RIPK2 (0.39) MEN1NPC1POLBRAB9AKMT2A

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-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 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-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 DYRK1A 1411/4885MEN1 3504/4885NPC1 2982/4885

“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.