SCHEMBL5133445

SCHEMBL5133445

CCNC(=O)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 8/20 0.48
▸ EGFR P00533 4/20 0.45
▸ CCNT1 O60563 7/20 0.43
▸ CDK9 P50750 7/20 0.43
▸ RET P07949 1/20 0.42
▸ ERBB2 P04626 1/20 0.42

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
SCHEMBL5005834 0.90 MKNK1 (0.51) MKNK1EGFRCCNT1CDK9RET
SCHEMBL5004875 0.90 ROCK2 (0.45) MKNK1EGFRCCNT1CDK9
SCHEMBL13994090 0.90 MKNK1 (0.47) MKNK1EGFRCCNT1CDK9RET
SCHEMBL5005801 0.90 MKNK1 (0.52) MKNK1EGFRRET
SCHEMBL5004914 0.90 MKNK1 (0.52) MKNK1EGFRRET
SCHEMBL16968177 0.89 MKNK1 (0.49) MKNK1EGFRCCNT1CDK9RET
SCHEMBL5001875 0.88 CCNT1 (0.49) MKNK1EGFRCCNT1CDK9
SCHEMBL13994114 0.88 MKNK1 (0.48) MKNK1EGFRCCNT1CDK9RET
SCHEMBL13996445 0.88 MKNK1 (0.48) MKNK1EGFRCCNT1CDK9RET
SCHEMBL5010148 0.88 CCNT1 (0.48) MKNK1EGFRCCNT1CDK9RET

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 8 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 claimed
EP-2900670-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2015-08-05 — — EP claimed
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
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK MKNK1 143/4885EGFR 137/4885CCNT1 1580/4885
US-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS CCND2, ARG2, ARG1 MKNK1 2957/4885EGFR 3423/4885CCNT1 20/4885

“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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