SCHEMBL17618864

SCHEMBL17618864

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(N3CCCN(CC(F)(F)F)CC3)ccc2N2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.43
▸ CCR3 P51677 1/20 0.41
▸ CASR P41180 1/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ WNT1 P04628 2/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ NCF1 P14598 1/20 0.35
▸ BRAF P15056 1/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PAX8 Q06710 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 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
SCHEMBL19670350 0.89 RHOA (0.45) RHOACCR3CASRDGAT2ROCK2
SCHEMBL16250007 0.88 RHOA (0.45) RHOACCR3CASRDYRK1AGSK3B
SCHEMBL16239267 0.88 RHOA (0.45) RHOACCR3CASRDYRK1AGSK3B
SCHEMBL16238216 0.88 RHOA (0.45) RHOACCR3CASRDYRK1AGSK3B
SCHEMBL16238213 0.88 RHOA (0.45) RHOACCR3CASRDYRK1AGSK3B
SCHEMBL19670338 0.87 CCR3 (0.40) RHOACCR3CASRDYRK1AGSK3B
SCHEMBL16775749 0.86 DGAT2 (0.43) RHOACCR3CASRDYRK1AGSK3B
SCHEMBL19365682 0.85 RHOA (0.46) RHOACCR3CASRDYRK1AGSK3B
SCHEMBL16249989 0.85 RHOA (0.46) RHOACCR3CASRDYRK1AGSK3B
SCHEMBL19670606 0.85 RHOA (0.46) RHOACCR3CASRDYRK1AGSK3B

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 RHOA 4858/4885CCR3 4873/4885CASR 4655/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885CCR3 4863/4885CASR 4598/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885CCR3 4863/4885CASR 4598/4885

“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