SCHEMBL17618819

SCHEMBL17618819

Cc1cncc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3C[C@@H](O)[C@H]2C3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ FYN P06241 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ AR P10275 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ RAF1 P04049 3/20 0.35
▸ BRAF P15056 3/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 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
SCHEMBL17618834 0.92 SCN10A (0.41) PHGDHMAPTSCN10AARCRHR1
SCHEMBL17618798 0.91 FYN (0.36) MAPTFYNKDM1ACA2CA9
SCHEMBL17618814 0.89 HTR2C (0.46) PHGDHMAPTFYNCA2CA9
SCHEMBL17618824 0.88 MAPT (0.40) MAPTSCN10AFYNMEN1KMT2A
SCHEMBL19699045 0.88 CA2 (0.41) PHGDHMAPTFYNKDM1ACA2
SCHEMBL19669042 0.88 CA2 (0.41) PHGDHMAPTFYNKDM1ACA2
SCHEMBL19699103 0.88 MAPT (0.42) MAPTSCN10AFYNMEN1ALDH1A1
SCHEMBL17618802 0.83 ALOX15 (0.44) FYNADORA2AKDM1ACA2CA9
SCHEMBL16238774 0.83 RHOA (0.45) MAPTFYNCA2CA9MEN1
SCHEMBL17618836 0.83 ABL1 (0.38) SCN10ACRHR1HTR2AHTR2C

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 PHGDH 1394/4885MAPT 303/4885SCN10A 3357/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PHGDH 1138/4885MAPT 267/4885SCN10A 3878/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PHGDH 1138/4885MAPT 267/4885SCN10A 3878/4885

“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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