SCHEMBL17618814

SCHEMBL17618814

O=C(Nc1cccnc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ KIT P10721 2/20 0.41
▸ CSF1R P07333 3/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ PHGDH O43175 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ FAAH O00519 1/20 0.38

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
SCHEMBL17618846 0.92 HTR2C (0.44) HTR2CHTR2AKITABL1TRPV1
SCHEMBL19669042 0.91 CA2 (0.41) ABL1PHGDHTRPV1MAPTFYN
SCHEMBL19699045 0.91 CA2 (0.41) ABL1PHGDHTRPV1MAPTFYN
SCHEMBL17618798 0.90 FYN (0.36) HTR2CHTR2AABL1MEN1KMT2A
SCHEMBL17618819 0.89 PHGDH (0.42) HTR2CHTR2APHGDHMEN1KMT2A
SCHEMBL17618802 0.88 ALOX15 (0.44) KITABL1TSHRFYNKDR
SCHEMBL17618830 0.88 TSHR (0.46) HTR2CHTR2ACSF1RABL1TSHR
SCHEMBL16238774 0.86 RHOA (0.45) KITTRPV1MEN1KMT2AMAPT
SCHEMBL17618782 0.85 FAAH (0.39) HTR2CHTR2AKMT2AHTR2BCA2
SCHEMBL17618354 0.85 HTR2C (0.48) HTR2CHTR2AKITCSF1RPHGDH

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 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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