SCHEMBL5008414

SCHEMBL5008414

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 8/20 0.48
▸ EGFR P00533 3/20 0.44
▸ RET P07949 1/20 0.41
▸ ROCK2 O75116 4/20 0.40
▸ CCNT1 O60563 3/20 0.39
▸ CDK9 P50750 3/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ TRPV1 Q8NER1 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
SCHEMBL13994114 0.92 MKNK1 (0.48) MKNK1EGFRRETROCK2CCNT1
SCHEMBL5005801 0.90 MKNK1 (0.52) MKNK1EGFRRETROCK2FLT1
SCHEMBL5004914 0.90 MKNK1 (0.52) MKNK1EGFRRETROCK2FLT1
SCHEMBL5005834 0.90 MKNK1 (0.51) MKNK1EGFRRETROCK2CCNT1
SCHEMBL13996445 0.89 MKNK1 (0.48) MKNK1EGFRRETCCNT1CDK9
SCHEMBL16968177 0.88 MKNK1 (0.49) MKNK1EGFRRETCCNT1CDK9
SCHEMBL13994090 0.88 MKNK1 (0.47) MKNK1EGFRRETCCNT1CDK9
SCHEMBL14500229 0.87 CCNT1 (0.44) ROCK2CCNT1CDK9TRPV1
SCHEMBL5005160 0.87 CDK9 (0.49) MKNK1EGFRRETCCNT1CDK9
SCHEMBL13994100 0.87 MKNK1 (0.46) MKNK1EGFRRETCCNT1CDK9

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 137/4885RET 11/4885
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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