SCHEMBL1784766

SCHEMBL1784766

Cc1cc(C)cc(NC(=O)c2sccc2SCc2ccnc(N)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALPG P10696 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
PTPRC P08575 2/20 0.38
PTPRG P23470 2/20 0.38

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
SCHEMBL1940433 0.83 L3MBTL1 (0.52) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1786964 0.82 PKM (0.55) L3MBTL1HPGDALDH1A1LMNAKMT2A
SCHEMBL1800354 0.79 PTPRC (0.53) MAPTGAAALDH1A1RAB9AKDM4E
SCHEMBL4024240 0.79 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL4018614 0.79 L3MBTL1 (0.52) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1941188 0.77 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1496405 0.77 KDR (0.47) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1783816 0.77 KDR (0.46) MAPTHPGDHTTALDH1A1LMNA
SCHEMBL1939690 0.73 L3MBTL1 (0.49) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL16927705 0.71 HTT (0.39) MAPTHPGDHTTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP claimed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US claimed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US claimed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US claimed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US claimed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 L3MBTL1 3923/4885CYP1A2 350/4885CYP3A4 1025/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 L3MBTL1 907/4885CYP1A2 2041/4885CYP3A4 3851/4885

“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.