SCHEMBL10276485

SCHEMBL10276485

CC1C(c2ccc(F)cc2F)C2NC(c3ccc(C#N)cc3)=CC(=O)N12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.32
FADS1 O60427 4/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
KDM1A O60341 1/20 0.32
AR P10275 2/20 0.31
ELANE P08246 1/20 0.31
MIF P14174 1/20 0.31
NR3C2 P08235 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL10275566 0.87 TAAR1 (0.34)
SCHEMBL10276580 0.81 ELANE (0.38) ELANEKIF11
SCHEMBL10313597 0.78 PAX8 (0.36) KCNH2AR
SCHEMBL10275221 0.78 MC4R (0.34) MC4RBRD4BRD2BRD3DPP4
SCHEMBL10313498 0.78 KDM1A (0.36) KCNH2KDM1A
SCHEMBL10275707 0.74 NR3C2 (0.38) ARNR3C2
SCHEMBL10276706 0.72 DPP4 (0.32) MC4RDPP4
SCHEMBL10313541 0.68 MAOB (0.35)
SCHEMBL10275517 0.68 KCNH2 (0.35) DPP4KCNH2PARP1PARP2KDM1A
SCHEMBL10275479 0.66 MEN1 (0.35) BRD4DPP4KCNH2

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 MC4R 2452/4885BRD4 3228/4885BRD2 4261/4885

“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.