SCHEMBL1784588

SCHEMBL1784588

CC(=O)Nc1nccc(CSc2ncccc2C(=O)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.62
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL1786747 0.87 KDR (0.66) KDRNPC1TSHRKMT2AMEN1
SCHEMBL1785263 0.86 KMT2A (0.45) KDRNPC1KMT2AMEN1MAPT
SCHEMBL1788425 0.86 KDR (0.57) KDRNPC1TSHRKMT2AMEN1
SCHEMBL1786466 0.86 KDR (0.59) KDRNPC1TSHRKMT2AMEN1
SCHEMBL1784805 0.85 MAPT (0.61) KDRNPC1KMT2AMEN1MAPT
SCHEMBL1787988 0.83 NPC1 (0.46) KDRNPC1KMT2AMEN1MAPT
SCHEMBL1787447 0.83 KDR (0.60) KDRNPC1TSHRKMT2AMEN1
SCHEMBL1785017 0.81 KDR (0.74) KDRNPC1TSHRKMT2AMEN1
SCHEMBL1940525 0.80 KDR (0.71) KDRNPC1TSHRKMT2AMEN1
SCHEMBL1785330 0.80 KDR (0.55) KDRNPC1TSHRKMT2AMAPT

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 KDR 2531/4885NPC1 1451/4885TSHR 511/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDR 4/4885NPC1 1069/4885TSHR 475/4885

“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.