SCHEMBL5010250

SCHEMBL5010250

CC(C)(C)OC(=O)N1CC=C(c2cc3c(Nc4cccc(-c5ccccc5)c4)ncnc3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.53
▸ CCNT1 O60563 4/20 0.51
▸ CDK9 P50750 4/20 0.51
▸ LIMK1 P53667 4/20 0.48
▸ LIMK2 P53671 4/20 0.48
▸ MKNK1 Q9BUB5 4/20 0.47
▸ TBK1 Q9UHD2 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ TNNI3K Q59H18 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ GRM5 P41594 1/20 0.43
▸ GRM1 Q13255 1/20 0.43
▸ PDK4 Q16654 1/20 0.43

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
SCHEMBL13994061 0.94 CCNT1 (0.55) KITCCNT1CDK9MKNK1TBK1
SCHEMBL13994139 0.92 CCNT1 (0.48) KITCCNT1CDK9LIMK1LIMK2
SCHEMBL13994081 0.92 KIT (0.56) KITCCNT1CDK9MKNK1TBK1
SCHEMBL13994075 0.92 CCNT1 (0.49) KITCCNT1CDK9MKNK1TBK1
SCHEMBL13994504 0.91 CCNT1 (0.47) KITCCNT1CDK9LIMK1LIMK2
SCHEMBL5008373 0.91 CCNT1 (0.48) KITCCNT1CDK9MKNK1TBK1
SCHEMBL13994128 0.91 CCNT1 (0.51) KITCCNT1CDK9MKNK1TBK1
SCHEMBL5005389 0.90 CCNT1 (0.48) KITCCNT1CDK9LIMK1LIMK2
SCHEMBL13994080 0.90 CCNT1 (0.49) KITCCNT1CDK9MKNK1TBK1
SCHEMBL5008291 0.90 CCNT1 (0.51) KITCCNT1CDK9MKNK1TBK1

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 591/4885CCNT1 1580/4885CDK9 428/4885

“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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