SCHEMBL17624650

SCHEMBL17624650

O=C(Nc1cccc(-c2ccsc2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ IDH2 P48735 9/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ AR P10275 1/20 0.34
▸ NEK2 P51955 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
SCHEMBL17624529 0.88 KIT (0.39) IDH2
SCHEMBL16238528 0.87 IDH2 (0.37) IDH2ALDH1A1MEN1KMT2A
SCHEMBL17624400 0.86 CA2 (0.36) IDH2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL16238412 0.85 PHGDH (0.41) IDH2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17618905 0.85 PHGDH (0.41) IDH2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL16249961 0.84 IRAK4 (0.37) IDH2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17618769 0.84 RHOA (0.40) IDH2ALDH1A1MEN1KMT2AKDR
SCHEMBL17618409 0.84 LRRK2 (0.40) IDH2ALDH1A1MEN1KMT2A
SCHEMBL17618349 0.84 FAAH (0.40) IDH2ALDH1A1MEN1KMT2A
SCHEMBL17618783 0.84 MEN1 (0.47) IDH2ALDH1A1MEN1KMT2AKDM4E

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 7 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-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 AURKA 2147/4885NTRK1 4714/4885IDH2 42/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AURKA 1915/4885NTRK1 4730/4885IDH2 34/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 AURKA 1915/4885NTRK1 4730/4885IDH2 34/4885

“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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