SCHEMBL17618855

SCHEMBL17618855

O=C(Nc1cccc(-c2cnco2)c1)N1c2nc(-c3cncc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.41
▸ RHOA P61586 2/20 0.41
▸ BRAF P15056 1/20 0.40
▸ CREBBP Q92793 3/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ CASR P41180 1/20 0.38
▸ MAP3K7 O43318 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ LIMK2 P53671 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NCF1 P14598 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ IMPDH2 P12268 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16249978 0.95 CREBBP (0.42) CCR3RHOABRAFCREBBPBRD4
SCHEMBL17618852 0.93 KDM4E (0.35) CCR3RHOAABL1WNT1GSK3B
SCHEMBL17624410 0.89 CREBBP (0.43) CCR3RHOABRAFCREBBPBRD4
SCHEMBL17618866 0.88 HTR1A (0.34) CCR3RHOABRAFABL1WNT1
SCHEMBL17618859 0.88 DYRK1A (0.40) ABL1WNT1GSK3BDYRK1A
SCHEMBL16775764 0.88 IMPDH2 (0.44) CCR3RHOABRAFCREBBPBRD4
SCHEMBL17618598 0.88 RHOA (0.43) CCR3RHOABRAFCREBBPBRD4
SCHEMBL19365359 0.88 RHOA (0.43) CCR3RHOABRAFCREBBPBRD4
SCHEMBL16775784 0.88 IMPDH2 (0.44) CCR3RHOABRAFCREBBPBRD4
SCHEMBL16249980 0.88 RHOA (0.43) CCR3RHOABRAFCREBBPBRD4

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 CCR3 4873/4885RHOA 4858/4885BRAF 2804/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CCR3 4863/4885RHOA 4798/4885BRAF 3419/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CCR3 4863/4885RHOA 4798/4885BRAF 3419/4885

“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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