SCHEMBL17768260

SCHEMBL17768260

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ IDH2 P48735 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ LIPC P11150 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ KDM1A O60341 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 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
SCHEMBL19346988 0.94 CASP6 (0.41) KMT2ATSHRALDH1A1IDH2MEN1
SCHEMBL19346987 0.94 CASP6 (0.41) KMT2ATSHRALDH1A1IDH2MEN1
SCHEMBL19689756 0.93 KMT2A (0.41) KMT2ATSHRALDH1A1IDH2MEN1
SCHEMBL17778734 0.92 KCNH2 (0.42) KMT2ATSHRALDH1A1IDH2MEN1
Hydrochloric Acid SCHEMBL19689854 0.92 KMT2A (0.40) KMT2ATSHRALDH1A1IDH2MEN1
SCHEMBL19699710 0.91 ITGB2 (0.42) KMT2ATSHRALDH1A1IDH2MEN1
SCHEMBL19689730 0.91 ITGB2 (0.42) KMT2ATSHRALDH1A1IDH2MEN1
SCHEMBL19689772 0.90 CNR2 (0.43) KMT2ATSHRALDH1A1IDH2MEN1
SCHEMBL16238628 0.90 CASP6 (0.40) IDH2CASP6ITGB3ITGA2BLIPC
SCHEMBL16238924 0.89 TP53 (0.42) KMT2ATSHRIDH2LIPGCHRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 (1 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1922/4885TSHR 2418/4885ALDH1A1 993/4885

“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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