SCHEMBL4503143

SCHEMBL4503143

CSc1nc(C)c(C(=O)NCCC(c2ccccc2)c2ccccc2)c(-c2cccc(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PTGFR P43088 6/20 0.42
▸ EPHX2 P34913 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4496864 0.92 SMN1; SMN2 (0.46) CASRSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL4513458 0.89 SMN1; SMN2 (0.44) CASRSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL4494247 0.86 L3MBTL1 (0.50) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL13936982 0.83 ADORA3 (0.48) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL4515343 0.82 EPHX2 (0.51) CASRSMN1; SMN2MAPTPTGFREPHX2
SCHEMBL13936945 0.81 SMN1; SMN2 (0.50) CASRSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL4509701 0.80 CACNA1B (0.47) MAPTALDH1A1PTGFRMEN1KMT2A
SCHEMBL4509699 0.80 CACNA1B (0.47) MAPTALDH1A1PTGFRMEN1KMT2A
SCHEMBL4499958 0.80 SMN1; SMN2 (0.49) CASRSMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL4504538 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 — — US disclosed
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 — — US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 — — EP 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 (2 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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E CASR 74/4885SMN1; SMN2 758/4885MAPT 2326/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E CASR 134/4885SMN1; SMN2 779/4885MAPT 2073/4885

“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.

Send feedback