SCHEMBL5432135

SCHEMBL5432135

Cc1nc(NCCc2ccccc2Cl)c2cc(C)sc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ ABL1 P00519 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ SLC26A6 Q9BXS9 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ PDE5A O76074 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
SCHEMBL5431122 0.88 KDM4E (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL31044942 0.87 NPC1 (0.45) NPC1RAB9AMEN1KMT2ATAAR1
SCHEMBL5427049 0.84 NPC1 (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL5426412 0.83 ALDH1A1 (0.50) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL5436049 0.81 NPC1 (0.47) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5429571 0.80 TAAR1 (0.45) NPC1RAB9AMEN1KMT2ATAAR1
SCHEMBL31045226 0.79 TLR7 (0.41) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL5435776 0.79 ALDH1A1 (0.54) NPC1RAB9AMEN1KMT2ATAAR1
SCHEMBL20667984 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5427207 0.78 GALR3 (0.48) NPC1RAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 — — US 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 (1 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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 NPC1 3777/4885RAB9A 1976/4885MEN1 4364/4885

“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.

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