SCHEMBL12185437

SCHEMBL12185437

c1ccc2c(CCNc3ccnc(NCc4ccc5[nH]ccc5c4)n3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MC5R P33032 1/20 0.50
MC3R P41968 1/20 0.50
MC1R Q01726 1/20 0.50
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
IP6K1 Q92551 3/20 0.49
EIF2AK2 P19525 2/20 0.49
USP2 O75604 5/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
CLK4 Q9HAZ1 5/20 0.45
CYP2C9 P11712 4/20 0.45

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
SCHEMBL12185423 0.97 CDK2 (0.52) MKNK1MKNK2KMT2AMEN1MC5R
SCHEMBL12185470 0.89 CYP1A2 (0.46) KMT2AMEN1EIF2AK2USP2CYP1A2
SCHEMBL12185439 0.89 SPR (0.48) KMT2AMEN1IP6K1USP2CYP1A2
SCHEMBL16495082 0.88 SPR (0.41) MKNK1MKNK2KMT2AMEN1CCNT1
SCHEMBL16495083 0.87 HTR2A (0.45) MKNK1MKNK2KMT2AMEN1MC5R
SCHEMBL12185477 0.86 CYP1A2 (0.60) KMT2AMEN1USP2CYP1A2CYP3A4
SCHEMBL12185331 0.86 USP2 (0.43) KMT2AMEN1CCNT1CCNA2CDK2
SCHEMBL12185895 0.86 MPO (0.45) KMT2AMEN1USP2CYP1A2CYP3A4
SCHEMBL2598612 0.86 SPR (0.47) KMT2AMEN1CCNT1CCNA2CDK2
SCHEMBL16495008 0.85 SPR (0.40) MKNK1MKNK2KMT2AMEN1MC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed
WO-2011144742-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2011-11-24 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-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP MKNK1 4509/4885MKNK2 4356/4885KMT2A 2089/4885

“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.