SCHEMBL1577531

SCHEMBL1577531

CCCc1cnc(Br)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.36
PKM P14618 2/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL1577302 0.84 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL7508556 0.82 RARB (0.49) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL6634596 0.82 RARB (0.49) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL27972332 0.82 RARB (0.49) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL7839207 0.82 RARB (0.49) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL459817 0.79
SCHEMBL12844629 0.77 NPC1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL423180 0.77 NPC1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2NFKB1
SCHEMBL24669627 0.75 TDP1 (0.39) KDM4EGAAMEN1KMT2ACA12
SCHEMBL12844410 0.75 KDM4E (0.40) NPC1RAB9AKDM4ESMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018537-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2014-01-16 US disclosed
US-8536176-B2 GPR119 agonist NIPPON CHEMIPHAR CO., LTD. (JP) 2013-09-17 US disclosed
US-20110137032-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2011-06-09 US disclosed
EP-2311822-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2011-04-20 EP disclosed
EP-1411048-A1 Preparation of 2-bromo-pyrimidines and 2-iodo-pyrimidines MERCK PATENT GmbH (DE) 2004-04-21 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-20140018537-A1 GPR119 AGONIST GPR119, GPR27, GPR52 NPC1 3200/4885RAB9A 2673/4885KDM4E 2906/4885
US-20110137032-A1 GPR119 AGONIST GPR119, GPR27, GPR52 NPC1 3200/4885RAB9A 2673/4885KDM4E 2906/4885

“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.