SCHEMBL5008221

SCHEMBL5008221

CC(C)(C)OC(=O)N1CC=C(c2cc3cnc(Cl)nc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 5/20 0.51
▸ CCNT1 O60563 3/20 0.51
▸ TBK1 Q9UHD2 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ CYP11B2 P19099 1/20 0.43
▸ GRM1 Q13255 7/20 0.43
▸ GRM5 P41594 6/20 0.43
▸ PDK4 Q16654 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ TNK2 Q07912 1/20 0.41

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
SCHEMBL5005001 0.80 CCNT1 (0.58) CDK9CCNT1TBK1JAK1CNR1
SCHEMBL5008189 0.80 CDK9 (0.55) CDK9CCNT1TBK1JAK1CNR1
SCHEMBL22476358 0.79 CCNT1 (0.55) CDK9CCNT1TBK1JAK1CNR1
SCHEMBL5665564 0.79 CDK9 (0.66) CDK9CCNT1TBK1
SCHEMBL30603869 0.79 CCNT1 (0.55) CDK9CCNT1TBK1JAK1CNR1
SCHEMBL31640027 0.79 PDK4 (0.52) JAK1CNR1GRM1GRM5PDK4
SCHEMBL30919589 0.79 TNK2 (0.48) JAK1CYP11B2GRM1GRM5PDK4
SCHEMBL13275649 0.78 CYP11B2 (0.54) CNR1CYP11B2GRM1GRM5PDK4
SCHEMBL29611764 0.77 GRM1 (0.53) CDK9CYP11B2GRM1GRM5PDK4
SCHEMBL15942450 0.76 GRM1 (0.50) TBK1CYP11B2GRM1GRM5PDK4

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
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 — — EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 — — WO 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 CDK9 428/4885CCNT1 1580/4885TBK1 637/4885

“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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