SCHEMBL1179461

SCHEMBL1179461

Cc1cc(C(=N)NO)nc(OC(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EDNRB P24530 2/20 0.30
EDNRA P25101 2/20 0.30
NR1I2 O75469 1/20 0.30
KCNE1 P15382 1/20 0.30
KCNQ1 P51787 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
SCHEMBL1179338 0.82 LMNA (0.38) MAPTMEN1KMT2A
SCHEMBL1180465 0.81 ESR1 (0.37) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL1178998 0.78 LMNA (0.35) MAPTPOLBMEN1CYP1A2KMT2A
SCHEMBL1179282 0.76 ALOX15 (0.47) POLBKMT2ASMN1; SMN2EDNRBEDNRA
SCHEMBL12871107 0.75 POLB (0.39) MAPTPOLBMEN1CYP1A2CYP2D6
SCHEMBL1178746 0.73 LMNA (0.39) POLBMEN1CYP1A2CYP2C19KMT2A
SCHEMBL1179462 0.72 MAPT (0.32) MAPTPOLBEDNRBEDNRANR1I2
SCHEMBL1179192 0.71 KMT2A (0.40) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL1179727 0.71 HRH4 (0.33) SMN1; SMN2
SCHEMBL11798851 0.71 MAPT (0.41) MAPTPOLBMEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
CN-101965346-A Novel pyrimidine-pyridine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN 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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 MAPT 3786/4885POLB 1308/4885MEN1 4570/4885

“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.