SCHEMBL17618751

SCHEMBL17618751

Cc1nc(NC(=O)N2c3nc(-c4cncc(Cl)c4)ccc3N3CCC2CC3)sc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.37
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ PTGES O14684 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ MPL P40238 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 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
SCHEMBL16776275 0.92 PIK3CG (0.36) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL17618627 0.90 CRHR1 (0.35) CRHR1RAB9ASMN1; SMN2POLBFFAR2
SCHEMBL16776290 0.90 SLC27A1 (0.38) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL17618763 0.89 RAB9A (0.41) RAB9ASMN1; SMN2POLBFFAR2MEN1
SCHEMBL17618422 0.84 RAB9A (0.40) RAB9ASMN1; SMN2POLBFFAR2MEN1
SCHEMBL16776285 0.84 NPC1 (0.36) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL17618712 0.82 HCRTR1 (0.35) RAB9ASMN1; SMN2NPC1ADORA2AADORA1
SCHEMBL20631692 0.82 SLC27A1 (0.36) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL17618687 0.81 ACKR3 (0.39) RAB9ASMN1; SMN2NPC1ADORA2AADORA1
SCHEMBL17618747 0.80 ABL1 (0.36) IRAK4MAPTABL1

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 4125/4885RAB9A 1244/4885SMN1; SMN2 2211/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CRHR1 3969/4885RAB9A 1471/4885SMN1; SMN2 2122/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CRHR1 3969/4885RAB9A 1471/4885SMN1; SMN2 2122/4885

“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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