SCHEMBL17618830

SCHEMBL17618830

O=C(Nc1cccnc1)N1c2nc(-c3cccc(Cl)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTR2A P28223 7/20 0.44
▸ HTR2C P28335 7/20 0.44
▸ CSF1R P07333 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ CACNA1G O43497 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ CACNA1I Q9P0X4 2/20 0.39
▸ FNTA P49354 3/20 0.39
▸ FNTB P49356 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL17618825 0.88 ABL1 (0.35) TSHRMAPTCACNA1GCACNA1HCACNA1I
SCHEMBL17618824 0.88 MAPT (0.40) TSHRMAPTABL1CNR2
SCHEMBL17618814 0.88 HTR2C (0.46) TSHRMAPTHTR2AHTR2CCSF1R
SCHEMBL17618826 0.87 POLB (0.41) TSHRMAPTPOLBCNR2
SCHEMBL17618831 0.86 BRAF (0.43) MAPTTP53POLBCNR2
SCHEMBL17618829 0.85 FAAH (0.40) CNR2
SCHEMBL17618428 0.85 TSHR (0.46) TSHRMAPTTP53POLBHTR2A
SCHEMBL16238463 0.84 TSHR (0.47) TSHRMAPTTP53POLBHTR2A
SCHEMBL17618832 0.84 MPL (0.41) TSHRCNR2
SCHEMBL16249977 0.84 CNR2 (0.51) FNTAFNTBCNR2

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 TSHR 2703/4885MAPT 303/4885TP53 349/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TSHR 3064/4885MAPT 267/4885TP53 349/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TSHR 3064/4885MAPT 267/4885TP53 349/4885

“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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