SCHEMBL5008424

SCHEMBL5008424

O=C(O)N1CC=C(c2cc3c(Nc4cccc5[nH]ccc45)ncnc3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.43
▸ RET P07949 1/20 0.43
▸ LIMK1 P53667 1/20 0.42
▸ LIMK2 P53671 1/20 0.42
▸ CCNT1 O60563 8/20 0.42
▸ CDK9 P50750 8/20 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
SCHEMBL13994152 0.88 CDK9 (0.52) BTKRETCCNT1CDK9
SCHEMBL5005411 0.80 CCNT1 (0.43) BTKCCNT1CDK9
SCHEMBL5008347 0.80 BRAF (0.43) LIMK1LIMK2CCNT1CDK9
SCHEMBL5008183 0.77 MET (0.45) LIMK1LIMK2
SCHEMBL16962516 0.77 MKNK1 (0.41) BTKCCNT1CDK9
SCHEMBL16961894 0.77 CCNT1 (0.39) BTKCCNT1CDK9
SCHEMBL5008483 0.76 CCNT1 (0.47) BTKCCNT1CDK9
SCHEMBL5004914 0.76 MKNK1 (0.52) RET
SCHEMBL5005158 0.76 BTK (0.43) BTKLIMK1LIMK2CCNT1CDK9
SCHEMBL5004993 0.76 LIMK1 (0.43) RETLIMK1LIMK2CCNT1CDK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK BTK 7/4885RET 11/4885LIMK1 399/4885

“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.

Send feedback