SCHEMBL1787874

SCHEMBL1787874

Nc1nccc(CSc2ncccc2C(=O)Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.51
KDR P35968 3/20 0.48
CFTR P13569 1/20 0.44
CLK2 P49760 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
MAP4K4 O95819 2/20 0.43
DYRK1A Q13627 2/20 0.43
SRPK1 Q96SB4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
JAK2 O60674 3/20 0.42
JAK1 P23458 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL1941125 0.86 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDKDR
Hydrochloric Acid SCHEMBL1941612 0.85 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDKDR
SCHEMBL4018536 0.83 KDR (0.64) NPC1RAB9ASMN1; SMN2HPGDKDR
SCHEMBL1786885 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDRKDM4E
SCHEMBL1496399 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDKDR
SCHEMBL4018153 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDKDR
SCHEMBL1786747 0.81 KDR (0.66) NPC1RAB9ASMN1; SMN2KDRKDM4E
SCHEMBL1786652 0.81 KDR (0.45) NPC1RAB9ASMN1; SMN2HPGDKDR
SCHEMBL1783816 0.80 KDR (0.46) NPC1RAB9ASMN1; SMN2HPGDKDR
SCHEMBL1941025 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDKDR

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 NPC1 1451/4885RAB9A 2641/4885SMN1; SMN2 4691/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 NPC1 1069/4885RAB9A 3160/4885SMN1; SMN2 1761/4885

“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.