SCHEMBL17618407

SCHEMBL17618407

Cc1cnc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.41
▸ JAK2 O60674 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ IDH2 P48735 3/20 0.37
▸ KDM1A O60341 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35

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
SCHEMBL17618348 0.85 IDH2 (0.45) IDH2MEN1KMT2AALDH1A1LMNA
SCHEMBL19670406 0.83 CHRM2 (0.36) KITJAK2TYK2KDM1AMAOA
SCHEMBL17618419 0.83 KMT2A (0.42) IDH2KDM1AMAOAMAOBMEN1
SCHEMBL17618352 0.83 TRPV1 (0.40) KITKDM1AMAOAMAOBMEN1
SCHEMBL17618796 0.83 MEN1 (0.45) IDH2MEN1KMT2AALDH1A1LMNA
SCHEMBL17618876 0.83 CA2 (0.39) IDH2KDM1AMAOAMAOBMEN1
SCHEMBL17618861 0.83 TRPV1 (0.45) IDH2KDM1AMAOAMAOBNPY5R
SCHEMBL17618357 0.83 RPS6KB1 (0.39) IDH2KDM1AMAOAMAOBMEN1
SCHEMBL17618783 0.83 MEN1 (0.47) KITIDH2MEN1KMT2AALDH1A1
SCHEMBL19689772 0.82 CNR2 (0.43) IDH2KDM1AMAOAMAOBMEN1

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 KIT 2865/4885JAK2 2409/4885TYK2 2333/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIT 2844/4885JAK2 2392/4885TYK2 2636/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KIT 2844/4885JAK2 2392/4885TYK2 2636/4885

“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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