SCHEMBL17618354

SCHEMBL17618354

O=C(Nc1cccnc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ KIT P10721 2/20 0.43
▸ IDH2 P48735 4/20 0.42
▸ PHGDH O43175 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ CSF1R P07333 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17624590 0.95 HTR2C (0.47) HTR2CHTR2AKITIDH2PHGDH
SCHEMBL19365515 0.95 HTR2C (0.47) HTR2CHTR2AKITIDH2PHGDH
SCHEMBL16250014 0.95 HTR2C (0.47) HTR2CHTR2AKITIDH2PHGDH
SCHEMBL16249974 0.95 HTR2C (0.49) HTR2CHTR2AKITIDH2PHGDH
SCHEMBL17618809 0.94 HTR2C (0.45) HTR2CHTR2AKITIDH2MEN1
SCHEMBL17618753 0.92 HTR2C (0.46) HTR2CHTR2AKITTRPV1MEN1
SCHEMBL17618358 0.92 RPS6KB1 (0.40) HTR2CHTR2AKITIDH2TRPV1
SCHEMBL17618783 0.92 MEN1 (0.47) KITIDH2TRPV1MEN1KMT2A
SCHEMBL17618902 0.91 CA2 (0.42) IDH2PHGDHTRPV1MEN1KMT2A
SCHEMBL17618906 0.91 CA2 (0.42) IDH2PHGDHTRPV1MEN1KMT2A

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 8 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-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 HTR2C 4649/4885HTR2A 4359/4885KIT 2865/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885KIT 2844/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885KIT 2844/4885

“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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