SCHEMBL2118725

SCHEMBL2118725

Oc1cc(O)nc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NTSR1 P30989 1/20 0.59
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
MMP3 P08254 1/20 0.48
BCL2L1 Q07817 1/20 0.48
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2B P29275 2/20 0.46
ALOX5 P09917 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3165362 0.95 MEN1 (0.57) MEN1KMT2ANTSR1MAPTALDH1A1
SCHEMBL18760499 0.95 MEN1 (0.57) MEN1KMT2ANTSR1MAPTALDH1A1
SCHEMBL3307656 0.84 MEN1 (0.68) MEN1KMT2ANTSR1MAPTALDH1A1
SCHEMBL5262287 0.81 ADORA2A (0.66) MEN1KMT2ANTSR1MAPTALDH1A1
SCHEMBL2577307 0.81 LMNA (0.61) MEN1KMT2ANTSR1MAPTHPGD
SCHEMBL10645121 0.81 LMNA (0.61) MEN1KMT2ANTSR1MAPTALDH1A1
SCHEMBL23608941 0.80 L3MBTL1 (0.67) MEN1KMT2ANTSR1MAPTALDH1A1
SCHEMBL19543731 0.80 L3MBTL1 (0.67) MEN1KMT2ANTSR1MAPTALDH1A1
SCHEMBL15894206 0.80 L3MBTL1 (0.67) MEN1KMT2ANTSR1MAPTALDH1A1
SCHEMBL338622 0.80 L3MBTL1 (0.67) MEN1KMT2ANTSR1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646657-B Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL CO JP 2012-08-08 CN disclosed
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP disclosed
US-6372751-B1 DRUGS WITH BENZENE AND PYRIMIDINE RINGS BERLEX LABORATORIES, INC. 2002-04-16 US disclosed
EP-1135131-A4 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LAB (US) 2002-01-02 EP disclosed
EP-1135131-A1 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-09-26 EP disclosed
US-6127376-A A BLOOD FACTOR XA ENZYME INHIBITOR TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. (US) 2000-10-03 US disclosed
WO-2000033844-A1 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LATORATORIES, INC. (US) 2000-06-15 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST MEN1 4481/4885KMT2A 3104/4885NTSR1 4233/4885

“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.