SCHEMBL12185331

SCHEMBL12185331

Cc1ccc2[nH]cc(CCNc3nccc(NCc4ccc5[nH]ccc5c4)n3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 10/20 0.43
CYP1A2 P05177 10/20 0.43
CYP3A4 P08684 10/20 0.43
CYP2D6 P10635 10/20 0.43
CYP2C19 P33261 10/20 0.43
CLK4 Q9HAZ1 10/20 0.43
CYP2C9 P11712 7/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
GLA P06280 4/20 0.43
ALOX15 P16050 4/20 0.43
ALDH1A1 P00352 4/20 0.43
EIF2AK2 P19525 1/20 0.43
MAPK1 P28482 6/20 0.43
LMNA P02545 5/20 0.43
HIF1A Q16665 2/20 0.43
TP53 P04637 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HSD17B10 Q99714 3/20 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
SCHEMBL12185470 0.97 CYP1A2 (0.46) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16494837 0.89 CYP1A2 (0.42) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2598612 0.89 SPR (0.47) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12185895 0.89 MPO (0.45) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12185423 0.89 CDK2 (0.52) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12185321 0.89 CYP1A2 (0.57) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12185490 0.88 CYP1A2 (0.48) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16494254 0.87 CYP1A2 (0.45) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16494816 0.87 MEN1 (0.48) USP2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12185439 0.86 SPR (0.48) USP2CYP1A2CYP3A4CYP2D6CYP2C19

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-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US claimed
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 USP2 4104/4885CYP1A2 1943/4885CYP3A4 2044/4885

“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.