SCHEMBL3636747

SCHEMBL3636747

CCCn1c(-c2cnc(Nc3ccc(NC(C)=O)nc3)c(Cl)c2)nc2cccc(Cl)c21

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.75
PIK3CA P42336 1/20 0.43
SRC P12931 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KIT P10721 1/20 0.37
CTSL P07711 1/20 0.36
CTSC P53634 1/20 0.36
MOK Q9UQ07 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CYP3A4 P08684 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL3633520 0.86 GRM5 (1.00) GRM5
SCHEMBL3634648 0.85 GRM5 (0.65) GRM5PIK3CASRC
SCHEMBL3633709 0.85 GRM5 (0.75) GRM5
SCHEMBL3635875 0.84 GRM5 (0.80) GRM5
SCHEMBL3635831 0.84 GRM5 (0.82) GRM5SRCLMNAKITCTSC
SCHEMBL3632286 0.84 GRM5 (0.82) GRM5
SCHEMBL3635776 0.83 GRM5 (0.80) GRM5PIK3CASRC
SCHEMBL3633409 0.82 GRM5 (0.79) GRM5
SCHEMBL3635543 0.82 GRM5 (0.78) GRM5
SCHEMBL3634911 0.81 GRM5 (0.78) GRM5SRCLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 GRM5 4545/4885PIK3CA 1842/4885SRC 3164/4885

“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.