SCHEMBL2840468

SCHEMBL2840468

Cc1csc([C@@H](C)NC(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.43
FDPS P14324 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
FFAR2 O15552 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL2710802 1.00 RAB9A (0.44) RAB9ANPC1MAPTGAAFDPS
SCHEMBL6840350 0.88 SMN1; SMN2 (0.43) RAB9ANPC1MAPTGAAFDPS
SCHEMBL14562249 0.88 SMN1; SMN2 (0.43) RAB9ANPC1MAPTGAAFDPS
SCHEMBL4885031 0.83 L3MBTL1 (0.50) RAB9ANPC1GAAL3MBTL1ALDH1A1
SCHEMBL5179505 0.81 RAB9A (0.41) RAB9ANPC1MAPTGAAFDPS
SCHEMBL876834 0.80 ABCB1 (0.48) HSD17B10KMT2A
SCHEMBL4209295 0.80 ABCB1 (0.48) HSD17B10KMT2A
SCHEMBL10310236 0.79 FDPS (0.37) RAB9ANPC1MAPTGAAFDPS
SCHEMBL13151648 0.78 ESR2 (0.43) RAB9ANPC1MAPTGAAFDPS
SCHEMBL2910642 0.78 ADORA2A (0.38) RAB9ANPC1MAPTGAAALDH1A1

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-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2010-05-27 US disclosed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 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 (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-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET RAB9A 3718/4885NPC1 2627/4885MAPT 909/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET RAB9A 3718/4885NPC1 2627/4885MAPT 909/4885

“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.