SCHEMBL11930882

SCHEMBL11930882

Cc1ccc(CNc2cc(N[C@@H]3CCCC[C@@H]3CO)nc3c(Br)cnn23)c[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.43
▸ CDK2 P24941 10/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ CDK5 Q00535 5/20 0.42
▸ CDK1 P06493 4/20 0.42
▸ CDK7 P50613 4/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CCNH P51946 2/20 0.41
▸ MNAT1 P51948 2/20 0.41
▸ CCNA2 P20248 2/20 0.40
▸ CCNA1 P78396 2/20 0.40
▸ GSK3A P49840 2/20 0.38
▸ TAOK1 Q7L7X3 2/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNT2 O60583 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK4 P11802 1/20 0.38

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
SCHEMBL14542962 0.89 GSK3B (0.42) GSK3BCDK2CDK9CDK5CDK1
SCHEMBL14043213 0.87 GSK3B (0.48) GSK3BCDK2CDK9CDK5CDK1
SCHEMBL12953874 0.86 CDK2 (0.55) GSK3BCDK2CDK9CDK5CDK1
SCHEMBL11930872 0.86 CDK2 (0.55) GSK3BCDK2CDK9CDK5CDK1
SCHEMBL12953465 0.85 CDK2 (0.55) GSK3BCDK2CDK9CDK5CDK1
SCHEMBL14276459 0.85 CDK2 (0.55) GSK3BCDK2CDK9CDK5CDK1
SCHEMBL14412430 0.84 CDK2 (0.53) GSK3BCDK2CDK7CCNE1CCNH
SCHEMBL15579646 0.84 GSK3B (0.47) GSK3BCDK2CDK9CDK5CDK1
SCHEMBL15579645 0.84 GSK3B (0.47) GSK3BCDK2CDK9CDK5CDK1
SCHEMBL14346499 0.83 GSK3B (0.43) GSK3BCDK2CDK9CDK5CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
US-8211854-B2 Methods for inhibiting protein kinases SCHERING CORPORATION (US) 2012-07-03 — — US disclosed
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION 2010-05-20 — — US disclosed
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 GSK3B 334/4885CDK2 64/4885CDK9 117/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 GSK3B 334/4885CDK2 64/4885CDK9 117/4885

“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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