SCHEMBL17618627

SCHEMBL17618627

Cc1nc(NC(=O)N2c3nc(-c4cncc(Cl)c4)ccc3N3CCC[C@H]2C3)sc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.35
▸ PTGES O14684 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ FFAR2 O15552 1/20 0.34
▸ TRPC3 Q13507 3/20 0.34
▸ TRPC6 Q9Y210 3/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL17618712 0.92 HCRTR1 (0.35) ACKR3RAB9ASMN1; SMN2PIK3CGPIK3CD
SCHEMBL17618687 0.91 ACKR3 (0.39) ACKR3RAB9ASMN1; SMN2PIK3CGPIK3CD
SCHEMBL17618751 0.90 CRHR1 (0.37) CRHR1PTGESRAB9ASMN1; SMN2POLB
SCHEMBL17618650 0.89 ABL1 (0.35) CRHR1ACKR3RAB9ASMN1; SMN2PIK3CG
SCHEMBL17618683 0.88 PIK3CA (0.45) RAB9ASMN1; SMN2POLBPIK3CGPIK3CD
SCHEMBL17618711 0.85 SMN1; SMN2 (0.38) ACKR3RAB9ASMN1; SMN2PIK3CGPIK3CD
SCHEMBL17618422 0.85 RAB9A (0.40) RAB9ASMN1; SMN2POLBFFAR2CNR1
SCHEMBL16754546 0.84 PIK3CD (0.38) ACKR3RAB9ASMN1; SMN2PIK3CGPIK3CD
SCHEMBL19365381 0.84 SMN1; SMN2 (0.40) ACKR3RAB9ASMN1; SMN2POLBPIK3CG
SCHEMBL17618612 0.84 SMN1; SMN2 (0.40) ACKR3RAB9ASMN1; SMN2POLBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CRHR1 4125/4885PTGES 2103/4885ACKR3 4278/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CRHR1 3969/4885PTGES 1787/4885ACKR3 3975/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CRHR1 3969/4885PTGES 1787/4885ACKR3 3975/4885

“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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