SCHEMBL5001665

SCHEMBL5001665

O=C(CN1CCOCC1)N1CC=C(c2cc3c(Nc4ccc5ncsc5c4)ncnc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.45
▸ NAMPT P43490 5/20 0.42
▸ EGFR P00533 4/20 0.41
▸ BTK Q06187 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ CCNT1 O60563 6/20 0.39
▸ CDK9 P50750 6/20 0.39
▸ IRAK4 Q9NWZ3 3/20 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
SCHEMBL5004837 0.93 CCNT1 (0.40) KITNAMPTEGFRCCNT1CDK9
SCHEMBL5004929 0.93 CCNT1 (0.42) KITEGFRERBB2CCNT1CDK9
SCHEMBL5004741 0.93 CCNT1 (0.41) KITNAMPTEGFRCCNT1CDK9
SCHEMBL5010289 0.93 CCNT1 (0.41) KITNAMPTEGFRCCNT1CDK9
SCHEMBL5001673 0.91 NAMPT (0.42) KITNAMPTEGFRBTKERBB2
SCHEMBL13994223 0.91 CCNT1 (0.46) BTKCCNT1CDK9
SCHEMBL5005376 0.90 CCNT1 (0.41) BTKCCNT1CDK9
SCHEMBL5005594 0.90 KIT (0.43) KITEGFRBTKCCNT1CDK9
SCHEMBL13994208 0.89 CCNT1 (0.38) KITEGFRBTKCCNT1CDK9
SCHEMBL13994186 0.89 CCNT1 (0.52) EGFRCCNT1CDK9IRAK4

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 4 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-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 (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 KIT 591/4885NAMPT 3067/4885EGFR 137/4885

“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