SCHEMBL17618536

SCHEMBL17618536

Cc1nc(NC(=O)N2c3nc(-c4cccc(N(C)C)c4)ccc3N3CCC[C@@H]2C3)sc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CNR1 P21554 1/20 0.36
▸ ACKR3 P25106 1/20 0.34
▸ PIK3CD O00329 3/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ FYN P06241 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PIK3CB P42338 3/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 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
SCHEMBL19365381 1.00 SMN1; SMN2 (0.40) SMN1; SMN2CNR1ACKR3PIK3CDPIK3CA
SCHEMBL17618612 1.00 SMN1; SMN2 (0.40) SMN1; SMN2CNR1ACKR3PIK3CDPIK3CA
SCHEMBL20633174 0.92 SMN1; SMN2 (0.38) SMN1; SMN2CNR1ACKR3FYNNPC1
SCHEMBL17618366 0.87 IDH2 (0.38) SMN1; SMN2KDM4EALDH1A1LMNAPOLB
SCHEMBL17618488 0.86 POLQ (0.38) SMN1; SMN2CNR1ACKR3NPC1RAB9A
SCHEMBL17618683 0.86 PIK3CA (0.45) SMN1; SMN2PIK3CDPIK3CANPC1RAB9A
SCHEMBL17618742 0.86 SMPD3 (0.40) ACKR3NPC1RAB9AALDH1A1PIK3CG
SCHEMBL16754546 0.85 PIK3CD (0.38) SMN1; SMN2ACKR3PIK3CDPIK3CANPC1
SCHEMBL17618422 0.84 RAB9A (0.40) SMN1; SMN2CNR1RAB9AKDM4EALDH1A1
SCHEMBL17618627 0.84 CRHR1 (0.35) SMN1; SMN2CNR1ACKR3PIK3CDPIK3CA

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 SMN1; SMN2 2211/4885CNR1 3355/4885ACKR3 4278/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885CNR1 2946/4885ACKR3 3975/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SMN1; SMN2 2122/4885CNR1 2946/4885ACKR3 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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