SCHEMBL123837

SCHEMBL123837

COc1cc(-c2cc(C3CCN(S(C)(=O)=O)CC3)n3ncnc(N)c23)ccc1Oc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.53
AXL P30530 3/20 0.48
MERTK Q12866 3/20 0.48
TNK2 Q07912 5/20 0.48
TYRO3 Q06418 4/20 0.47
ACVRL1 P37023 2/20 0.44
MTOR P42345 1/20 0.43
RICTOR Q6R327 1/20 0.43
RPTOR Q8N122 1/20 0.43
MAPKAP1 Q9BPZ7 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
PIK3CD O00329 2/20 0.41
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 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
SCHEMBL123014 0.87 BTK (0.68) BTKAXLMERTKTNK2TYRO3
SCHEMBL123477 0.82 BTK (0.56) BTKAXLMERTKTNK2ACVRL1
SCHEMBL168004 0.79 BTK (0.52) BTKAXLMERTKTNK2ACVRL1
SCHEMBL120431 0.73 BTK (0.56) BTKTNK2ACVRL1PIK3CD
SCHEMBL123466 0.72 BTK (0.70) BTKAXLMERTKTNK2PIK3CD
SCHEMBL14312934 0.72 MERTK (0.58) AXLMERTKTYRO3PIK3CD
SCHEMBL31630266 0.72 AXL (0.49) AXLMERTKTYRO3ACVRL1MTOR
SCHEMBL120433 0.72 BTK (0.66) BTKTNK2
SCHEMBL120432 0.72 BTK (0.66) BTKTNK2
SCHEMBL122566 0.71 BTK (0.94) BTKTNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO 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-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 BTK 1/4885AXL 633/4885MERTK 600/4885

“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.