SCHEMBL17618712

SCHEMBL17618712

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2nc(C)c(C)s2)[C@H]2CCCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ PIK3CG P48736 5/20 0.35
▸ PIK3CD O00329 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL17618687 0.92 ACKR3 (0.39) ACKR3PIK3CGPIK3CDSMN1; SMN2PIK3CA
SCHEMBL17618627 0.92 CRHR1 (0.35) ACKR3PIK3CGPIK3CDSMN1; SMN2PIK3CA
SCHEMBL16776275 0.90 PIK3CG (0.36) HCRTR1HCRTR2PIK3CGPIK3CDSMN1; SMN2
SCHEMBL17618650 0.90 ABL1 (0.35) ACKR3PIK3CGPIK3CDSMN1; SMN2PIK3CA
SCHEMBL17618683 0.89 PIK3CA (0.45) PIK3CGPIK3CDSMN1; SMN2PIK3CAPIK3CB
SCHEMBL17618711 0.87 SMN1; SMN2 (0.38) ACKR3PIK3CGPIK3CDSMN1; SMN2PIK3CA
SCHEMBL16754546 0.85 PIK3CD (0.38) ACKR3PIK3CGPIK3CDSMN1; SMN2PIK3CA
SCHEMBL17618713 0.84 ABL1 (0.44) ACKR3PIK3CGPIK3CDSMN1; SMN2PIK3CA
SCHEMBL17618536 0.83 SMN1; SMN2 (0.40) ACKR3PIK3CGPIK3CDSMN1; SMN2PIK3CA
SCHEMBL19365381 0.83 SMN1; SMN2 (0.40) ACKR3PIK3CGPIK3CDSMN1; SMN2PIK3CA

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 HCRTR1 2630/4885HCRTR2 3066/4885ACKR3 4278/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HCRTR1 2303/4885HCRTR2 2516/4885ACKR3 3975/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HCRTR1 2303/4885HCRTR2 2516/4885ACKR3 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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