SCHEMBL5004875

SCHEMBL5004875

O=C(NCc1ccccc1)N1CC=C(c2cc3c(Nc4ccc5[nH]ncc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ MKNK1 Q9BUB5 4/20 0.44
▸ CDK9 P50750 7/20 0.44
▸ CCNT1 O60563 5/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ KIT P10721 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ EGFR P00533 3/20 0.41
▸ FLT1 P17948 1/20 0.40
▸ KDR P35968 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
SCHEMBL5133445 0.90 MKNK1 (0.48) MKNK1CDK9CCNT1EGFR
SCHEMBL5005721 0.90 MKNK1 (0.46) ROCK2ROCK1MKNK1CDK9CCNT1
SCHEMBL5001875 0.90 CCNT1 (0.49) ROCK2ROCK1MKNK1CDK9CCNT1
SCHEMBL14500369 0.88 CDK9 (0.49) ROCK2ROCK1CDK9CCNT1JAK3
SCHEMBL5004914 0.88 MKNK1 (0.52) ROCK2MKNK1EGFRFLT1
SCHEMBL13994107 0.87 MKNK1 (0.48) ROCK2MKNK1CDK9CCNT1CYP3A4
SCHEMBL5005801 0.86 MKNK1 (0.52) ROCK2MKNK1EGFRFLT1
SCHEMBL5130302 0.85 MKNK1 (0.44) ROCK2ROCK1MKNK1CDK9CCNT1
SCHEMBL5005834 0.85 MKNK1 (0.51) ROCK2MKNK1CDK9CCNT1EGFR
SCHEMBL5008155 0.85 ROCK2 (0.47) ROCK2ROCK1MKNK1CDK9CCNT1

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 ROCK2 91/4885ROCK1 203/4885MKNK1 143/4885
US-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS CCND2, ARG2, ARG1 ROCK2 435/4885ROCK1 348/4885MKNK1 2957/4885

“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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