SCHEMBL17159458

SCHEMBL17159458

OB(O)c1ccc(C2OCCO2)cn1.[LiH]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL15264617 0.98 CCNB2 (0.34) CCNB2CDK1CCNB1GSK3BCDK5
Lithium Ion SCHEMBL15758974 0.95 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL30444986 0.71 CHRNB2 (0.45)
SCHEMBL166382 0.71 MEN1 (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL30392892 0.71 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL17177076 0.71 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL108593 0.71 CCNB2 (0.36) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL20168754 0.71 CHRNB2 (0.45)
SCHEMBL511354 0.70 CCNB2 (0.34) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL113598 0.70 CYP11B1 (0.35)

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-9771330-B2 Pyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-09-26 US disclosed
US-9649309-B2 Therapeutic uses of selected pyrimidine compounds with anti-Mer tyrosine kinase activity THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-05-16 US disclosed
US-20150322019-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2015-11-12 US disclosed
US-20150290194-A1 THERAPEUTIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-15 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-20150322019-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER TYMP, TYMS, DPYD CCNB2 67/4885CDK1 173/4885CCNB1 83/4885
US-20150290194-A1 THERAPEUTIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY MERTK, FLT3, TK1 CCNB2 1148/4885CDK1 818/4885CCNB1 1510/4885

“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.