SCHEMBL17618835

SCHEMBL17618835

Cc1nc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3N3C[C@@H](O)[C@H]2C3)sc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.38
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ FFAR2 O15552 1/20 0.35
▸ GAK O14976 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CFTR P13569 2/20 0.34
▸ PTGER4 P35408 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL16238271 0.88 KDM1A (0.38) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL17618422 0.85 RAB9A (0.40) ABL1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL17618763 0.85 RAB9A (0.41) ABL1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL17618824 0.82 MAPT (0.40) ABL1KMT2AMEN1GAKMAPT
SCHEMBL19706029 0.81 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL17618841 0.81 PIK3CD (0.35) ABL1
SCHEMBL16249977 0.81 CNR2 (0.51) KMT2AALDH1A1CNR1
SCHEMBL16775808 0.80 KDM1A (0.38) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL17618830 0.80 TSHR (0.46) ABL1POLBMAPT
SCHEMBL19706123 0.80 ABL1 (0.39) ABL1KMT2AMEN1RAB9ASMN1; SMN2

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 ABL1 3987/4885KMT2A 1287/4885MEN1 3505/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885KMT2A 1438/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885KMT2A 1438/4885MEN1 3676/4885

“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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