SCHEMBL1786820

SCHEMBL1786820

O=C(Nc1cccc(Cl)c1)c1cccnc1SCc1ccnc(NC2CCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
GRM5 P41594 1/20 0.43
GRM4 Q14833 2/20 0.42
ACKR3 P25106 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD11B1 P28845 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
FADS1 O60427 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 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
SCHEMBL1788104 0.97 KDR (0.47) KDRGRM5GRM4KMT2AMEN1
SCHEMBL1786466 0.87 KDR (0.59) KDRKMT2AMEN1HSD11B1ALDH1A1
SCHEMBL1788178 0.85 MEN1 (0.51) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL1787441 0.82 KDR (0.42) KDRKMT2AHSD11B1ALDH1A1RAB9A
SCHEMBL16927713 0.82 P2RX1 (0.41) KDRKMT2AMEN1ALDH1A1TSHR
SCHEMBL1784490 0.81 HSD11B1 (0.40) KDRKMT2AHSD11B1ALDH1A1NPC1
SCHEMBL1786239 0.80 KDR (0.40) KDRKMT2AHSD11B1ALDH1A1NPC1
SCHEMBL1789920 0.78 KDR (0.48) KDRGRM4KMT2AMEN1HDAC6
SCHEMBL1787465 0.78 KDR (0.39) KDRKMT2AMEN1HSD11B1ALDH1A1
SCHEMBL1787272 0.77 KDR (0.45) KDRGRM4KMT2AMEN1HDAC6

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
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 KDR 2531/4885GRM5 849/4885GRM4 1331/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDR 4/4885GRM5 3345/4885GRM4 3217/4885

“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.