SCHEMBL17618437

SCHEMBL17618437

O=C(Nc1ccncc1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ MALT1 Q9UDY8 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SLC6A7 Q99884 1/20 0.36
▸ PDE4A P27815 1/20 0.36

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
SCHEMBL17618635 0.95 CNR1 (0.42) CNR2CNR1KMT2AMEN1GRM5
SCHEMBL17618428 0.91 TSHR (0.46) CNR1GRM5MALT1MAPTTP53
SCHEMBL17618433 0.91 GRM5 (0.38) CNR2CNR1KMT2AMEN1RAB9A
SCHEMBL17618430 0.88 MPL (0.41) CNR2CNR1RAB9ASMN1; SMN2GRM5
SCHEMBL19703382 0.88 MPL (0.41) CNR2CNR1RAB9ASMN1; SMN2GRM5
SCHEMBL17618517 0.88 MPL (0.41) CNR2CNR1RAB9ASMN1; SMN2GRM5
SCHEMBL17618432 0.87 CNR1 (0.36) CNR2CNR1KMT2AMEN1RAB9A
SCHEMBL19670176 0.87 CNR1 (0.36) CNR2CNR1KMT2AMEN1RAB9A
SCHEMBL17618507 0.87 CNR1 (0.36) CNR2CNR1KMT2AMEN1RAB9A
SCHEMBL17618902 0.87 CA2 (0.42) KMT2AMEN1SMN1; SMN2MAPTLMNA

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 CNR2 3123/4885CNR1 3355/4885KMT2A 1287/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885CNR1 2946/4885KMT2A 1438/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885CNR1 2946/4885KMT2A 1438/4885

“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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