Sugi Predict

Sugi Predict / Compounds / SCHEMBL14718630

SCHEMBL14718630

SCHEMBL14718630

Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCNCC5)cc4s3)CC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.35
▸ KCNH2 Q12809 5/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ QDPR P09417 2/20 0.33
▸ SOS1 Q07889 3/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CDK7 P50613 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
SCHEMBL2591961 0.84 HRH3 (0.36) KCNH2HRH3FGFR1FGFR2FGFR3
SCHEMBL16015962 0.83 SIGMAR1 (0.37) LRRK2KCNH2QDPRSOS1GPR119
SCHEMBL2594071 0.83 SCD (0.37) LRRK2PIK3CAQDPRTLR9TLR7
SCHEMBL14718296 0.82 MAPT (0.36) KCNH2HRH3QDPRSOS1GPR119
SCHEMBL2583777 0.82 GPR119 (0.41) GPR119
SCHEMBL12178017 0.80 CDK7 (0.42) PIK3CDPIK3CASOS1GPR119CDK7
SCHEMBL2594211 0.78 GPR119 (0.41) GPR119
SCHEMBL2594050 0.77 CHEK2 (0.42) KCNH2HRH3
SCHEMBL12177992 0.77 GPR119 (0.44) GPR119
SCHEMBL14729085 0.76 GPR119 (0.45) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 — — EP disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 — — EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 — — US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 — — US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 — — 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 LRRK2 371/4885KCNH2 1122/4885HRH3 522/4885

“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.