SCHEMBL17618728

SCHEMBL17618728

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccc4c(cnn4C)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.36
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MLLT1 Q03111 2/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ WNT3A P56704 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ POLQ O75417 1/20 0.34
▸ NTRK1 P04629 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
SCHEMBL16754671 0.88 HRH3 (0.38) HRH3WNT3AALDH1A1
SCHEMBL16754297 0.87 WNT3A (0.43) WNT3A
SCHEMBL17768108 0.87 WNT3A (0.43) WNT3A
SCHEMBL17618697 0.87 HRH3 (0.37) HRH3WNT3A
SCHEMBL17618695 0.86 BTK (0.39) WNT3A
SCHEMBL17618503 0.85 CREBBP (0.37) NOTUMHRH3MAOBMAOAACHE
SCHEMBL16754500 0.85 IRAK4 (0.37) HRH3WNT3A
SCHEMBL16754304 0.85 TRPV1 (0.47) TRPV1
SCHEMBL16238356 0.85 NOTUM (0.38) NOTUMHRH3MAOBMAOAWNT3A
SCHEMBL17618483 0.84 KDM1A (0.37) NOTUMMAOBMAOAACHENPC1

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 NOTUM 3345/4885HRH3 2667/4885MAOB 904/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NOTUM 3260/4885HRH3 2288/4885MAOB 985/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NOTUM 3260/4885HRH3 2288/4885MAOB 985/4885

“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.

Send feedback