SCHEMBL17618414

SCHEMBL17618414

Cn1ncc2cc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ NPY2R P49146 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ IDH2 P48735 3/20 0.37
▸ CREBBP Q92793 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CSF1R P07333 1/20 0.36

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
SCHEMBL17618475 0.89 ABL1 (0.39) CREBBPFYN
SCHEMBL17618783 0.88 MEN1 (0.47) MAPTMEN1ALDH1A1KMT2AIDH2
SCHEMBL17618503 0.87 CREBBP (0.37) MAPTALDH1A1CREBBPNPC1JAK2
SCHEMBL17618385 0.87 MAPT (0.41) MAPTNPY2RMEN1ALDH1A1KMT2A
SCHEMBL17618483 0.87 KDM1A (0.37) MAPTALDH1A1CREBBPNPC1KDM1A
SCHEMBL19670255 0.85 CREBBP (0.36) MAPTALDH1A1CREBBPTRPV1NPC1
SCHEMBL17618348 0.85 IDH2 (0.45) MAPTMEN1ALDH1A1KMT2ACA2
SCHEMBL17618786 0.85 FYN (0.42) MAPTMEN1ALDH1A1KMT2ACA2
SCHEMBL17618820 0.85 MEN1 (0.43) MAPTNPY2RMEN1ALDH1A1KMT2A
SCHEMBL17618817 0.85 CA2 (0.41) MAPTNPY2RMEN1ALDH1A1KMT2A

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 MAPT 303/4885NPY2R 2272/4885MEN1 3505/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 267/4885NPY2R 2186/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885NPY2R 2186/4885MEN1 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.

Send feedback