SCHEMBL16963653

SCHEMBL16963653

CCCCNC(=O)c1cc2c(Nc3ccc4[nH]ncc4c3)ncnc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 7/20 0.56
▸ EGFR P00533 6/20 0.51
▸ RET P07949 1/20 0.48
▸ ERBB2 P04626 2/20 0.46
▸ S1PR1 P21453 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL16962336 0.91 MKNK1 (0.53) MKNK1EGFRRETS1PR1
SCHEMBL16963568 0.91 MKNK1 (0.58) MKNK1EGFRRETERBB2S1PR1
SCHEMBL16963619 0.90 MKNK1 (0.48) MKNK1EGFRRET
SCHEMBL16962040 0.83 MKNK1 (0.67) MKNK1EGFRRETERBB2
SCHEMBL16963123 0.83 MKNK1 (0.58) MKNK1EGFRRETERBB2TP53
SCHEMBL16963088 0.82 MKNK1 (0.61) MKNK1EGFRRETERBB2
SCHEMBL16963343 0.80 MKNK1 (0.65) MKNK1EGFRRETERBB2
SCHEMBL16963262 0.79 ROCK2 (0.59) MKNK1EGFRRET
SCHEMBL7495904 0.79 ALOX15 (0.49) EGFRERBB2
SCHEMBL16963547 0.77 MKNK1 (0.62) MKNK1EGFRRET

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-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 — — US disclosed
US-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 — — US disclosed
EP-2900670-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2015-08-05 — — EP 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-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS CCND2, ARG2, ARG1 MKNK1 2957/4885EGFR 3423/4885RET 1426/4885

“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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