SCHEMBL1924896

SCHEMBL1924896

CC(C)c1cc(C(=O)c2cncc(NC(=O)Nc3ccccc3Cl)c2)c2c(N)ncnn12

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 5/20 0.69
▸ NTRK1 P04629 14/20 0.67
▸ KCNH2 Q12809 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ RET P07949 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1925123 0.91 NTRK2 (0.81) NTRK2NTRK1KCNH2NTRK3RET
SCHEMBL1924225 0.90 NTRK1 (0.67) NTRK2NTRK1KCNH2NTRK3
SCHEMBL3970717 0.90 NTRK2 (0.85) NTRK2NTRK1MAPK8MAPK10RET
SCHEMBL1925592 0.89 NTRK1 (0.65) NTRK2NTRK1MAPK8KDRNPC1
SCHEMBL1924948 0.88 NTRK1 (0.69) NTRK2NTRK1KCNH2NTRK3RET
SCHEMBL1924907 0.88 NTRK1 (0.64) NTRK2NTRK1
SCHEMBL1924306 0.88 NTRK1 (0.64) NTRK2NTRK1KCNH2
SCHEMBL1926038 0.87 NTRK2 (0.72) NTRK2NTRK1KCNH2NTRK3RET
SCHEMBL1925611 0.86 NTRK1 (0.71) NTRK2NTRK1MAPK8RETKDR
SCHEMBL14537222 0.86 NTRK1 (0.67) NTRK2NTRK1KCNH2NTRK3RET

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
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 — — EP disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — 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-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 NTRK2 1/4885NTRK1 3/4885KCNH2 1482/4885

“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.

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