SCHEMBL15416381

SCHEMBL15416381

O=C(Cn1cc(-c2cnc(-c3cccc(-c4cnn(CCO)c4)c3)nc2)cn1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.47
CDK8 P49336 3/20 0.47
PDK2 Q15119 4/20 0.43
GRIN2B Q13224 10/20 0.42
NAMPT P43490 1/20 0.41
BTK Q06187 1/20 0.41
ENPP2 Q13822 1/20 0.40

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
SCHEMBL15431644 0.92 CCNC (0.47) CCNCCDK8GRIN2BBTK
Hydrochloric Acid SCHEMBL15416693 0.91 CCNC (0.46) CCNCCDK8GRIN2BBTK
SCHEMBL15416231 0.91 IRAK4 (0.47) CCNCCDK8GRIN2B
SCHEMBL15416286 0.90 IRAK4 (0.46) CCNCCDK8GRIN2B
SCHEMBL15431284 0.89 CCNC (0.43) CCNCCDK8GRIN2BBTK
SCHEMBL15416724 0.89 IRAK4 (0.47) CCNCCDK8GRIN2B
Hydrochloric Acid SCHEMBL15416421 0.88 CCNC (0.42) CCNCCDK8GRIN2BBTK
SCHEMBL15416454 0.88 CCNC (0.54) CCNCCDK8GRIN2BBTK
SCHEMBL15416387 0.85 CCNC (0.46) CCNCCDK8GRIN2BBTK
SCHEMBL15416167 0.85 CCNC (0.43) CCNCCDK8GRIN2BBTKENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP claimed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US claimed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US claimed
EP-2872501-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 EP claimed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO claimed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
EP-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 EP disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-9216991-B2 Pyrimidine pyrazolyl derivatives ARES TRADING S.A. (CH) 2015-12-22 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
US-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2015-05-21 US disclosed
EP-2872501-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES Ares Trading S.A. (CH) 2015-05-20 EP disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 WO disclosed
WO-2014008992-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING S.A. (CH) 2014-01-16 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-20150141396-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES DPYD, TYMS, DHFR CCNC 1085/4885CDK8 594/4885PDK2 21/4885

“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.