SCHEMBL11930866

SCHEMBL11930866

Cn1cnc2cc(CNc3cc(C4CCNCC4)nc4c(Br)cnn34)ccc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.63
▸ CDK2 P24941 6/20 0.42
▸ CHEK1 O14757 2/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ MAT2A P31153 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 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
SCHEMBL11930865 0.90 GSK3B (0.65) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL12952905 0.83 GSK3B (0.65) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL11930875 0.80 CDK2 (0.64) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL12953472 0.79 GSK3B (0.70) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13116953 0.79 GSK3B (0.67) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL14545927 0.78 GSK3B (0.43) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL11930874 0.78 GSK3B (0.42) GSK3BCDK2CCNE1CDK7CCNH
SCHEMBL12952999 0.78 GSK3B (0.68) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL12952914 0.78 GSK3B (1.00) GSK3BCDK2CCNE1
SCHEMBL12953010 0.76 GSK3B (0.63) GSK3BCDK2CHEK1CCNA2CCNA1

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 8 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-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
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
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 64/4885CHEK1 8/4885
US-20100125068-A1 METHODS FOR INHIBITING PROTEIN KINASES PIM1, AURKC, PIM3 GSK3B 334/4885CDK2 64/4885CHEK1 8/4885

“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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