SCHEMBL343518

SCHEMBL343518

N[C@H]1CC[C@H](Cn2ncc3cnc(Nc4ccc(S(=O)(=O)CCO)cc4)nc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 9/20 0.43
CDK1 P06493 8/20 0.43
AURKA O14965 6/20 0.43
CCNB1 P14635 6/20 0.43
CDK2 P24941 2/20 0.40
KDR P35968 1/20 0.40
SYK P43405 3/20 0.40
CDK9 P50750 1/20 0.39
AXL P30530 2/20 0.37
TYRO3 Q06418 2/20 0.37

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
SCHEMBL343517 1.00 MERTK (0.43) MERTKCDK1AURKACCNB1CDK2
SCHEMBL31299830 0.91 CDK1 (0.50) CDK1AURKACCNB1CDK2KDR
SCHEMBL10167422 0.90 MERTK (0.41) MERTKCDK1AURKACCNB1CDK2
SCHEMBL343382 0.87 MERTK (0.57) MERTKCDK1AURKACCNB1CDK2
SCHEMBL31299866 0.87 MERTK (0.57) MERTKCDK1AURKACCNB1CDK2
SCHEMBL343383 0.87 MERTK (0.57) MERTKCDK1AURKACCNB1CDK2
Hydrochloric Acid SCHEMBL31299841 0.86 MERTK (0.56) MERTKCDK1AURKACCNB1CDK2
SCHEMBL341734 0.84 STK3 (0.47) MERTKCDK1AURKACCNB1SYK
SCHEMBL342481 0.84 CDK2 (0.47) MERTKCDK1AURKACCNB1CDK2
SCHEMBL342482 0.84 CDK2 (0.47) MERTKCDK1AURKACCNB1CDK2

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-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 MERTK 1098/4885CDK1 10/4885AURKA 784/4885

“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.