SCHEMBL1786745

SCHEMBL1786745

CCCCNc1nccc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
F2R P25116 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1787746 0.91 KDR (0.43) HTTKMT2AMEN1MAPTKDR
SCHEMBL1787390 0.89 GRM4 (0.41) HTTKMT2AMEN1MAPTKDR
SCHEMBL1788425 0.88 KDR (0.57) HTTKMT2AMEN1MAPTKDR
SCHEMBL1786545 0.87 KDR (0.45) HTTKMT2AMEN1MAPTKDR
SCHEMBL1785263 0.86 KMT2A (0.45) HTTKMT2AMEN1MAPTKDR
Hydrochloric Acid SCHEMBL1787604 0.83 ALDH1A1 (0.50) MAPTKDRMAPK8LMNAL3MBTL1
SCHEMBL1788117 0.83 MAPT (0.53) HTTKMT2AMEN1MAPTKDR
SCHEMBL1787441 0.83 KDR (0.42) HTTKMT2AKDRLMNAHPGD
SCHEMBL1783816 0.82 KDR (0.46) HTTKMT2AMEN1MAPTKDR
SCHEMBL1788504 0.81 KDR (0.45) HTTKMT2AMEN1MAPTKDR

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 HTT 2974/4885KMT2A 2247/4885MEN1 3106/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 HTT 516/4885KMT2A 2098/4885MEN1 2689/4885

“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.