SCHEMBL4831979

SCHEMBL4831979

O=c1[nH]c(Cl)c(Br)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 18/20 0.52
PNP P00491 1/20 0.52
IDH1 O75874 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL31490467 0.72 TYMP (0.56) TYMPPNPIDH1CSNK2A2CSNK2B
SCHEMBL28448729 0.72 TYMP (0.56) TYMP
SCHEMBL6574092 0.69 TYMP (0.50) TYMPPNPIDH1CSNK2A2CSNK2B
SCHEMBL28441245 0.68 TYMP (0.45) TYMP
SCHEMBL10826303 0.68 TYMP (0.48) TYMP
SCHEMBL4560430 0.68 TYMP (1.00) TYMPPNPIDH1CSNK2A2CSNK2B
SCHEMBL2891489 0.68 TYMP (0.52) TYMPPNPIDH1CSNK2A2CSNK2B
SCHEMBL2894070 0.68 TYMP (1.00) TYMPPNPIDH1CSNK2A2CSNK2B
SCHEMBL17524430 0.68 TYMP (0.52) TYMPPNP
SCHEMBL4560955 0.68 TYMP (0.52) TYMPPNPIDH1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334292-B1 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2012-12-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 TYMP 363/4885PNP 1065/4885IDH1 1960/4885

“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.