SCHEMBL17618809

SCHEMBL17618809

O=C(Nc1cccc(-c2cccnc2)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.45
▸ HTR2A P28223 4/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ IDH2 P48735 3/20 0.41
▸ PIKFYVE Q9Y2I7 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ABL1 P00519 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
SCHEMBL17618354 0.94 HTR2C (0.48) HTR2CHTR2AHTR2BCYP1A2KIT
SCHEMBL17618796 0.91 MEN1 (0.45) MEN1KMT2AALDH1A1IDH2MAPT
SCHEMBL17618783 0.91 MEN1 (0.47) KITMEN1KMT2AALDH1A1IDH2
SCHEMBL16250014 0.90 HTR2C (0.47) HTR2CHTR2AHTR2BCYP1A2KIT
SCHEMBL17624590 0.90 HTR2C (0.47) HTR2CHTR2AHTR2BCYP1A2KIT
SCHEMBL19365515 0.90 HTR2C (0.47) HTR2CHTR2AHTR2BCYP1A2KIT
SCHEMBL17624529 0.90 KIT (0.39) HTR2CHTR2AHTR2BCYP1A2KIT
SCHEMBL17618786 0.90 FYN (0.42) KITMEN1KMT2AALDH1A1IDH2
SCHEMBL16249974 0.90 HTR2C (0.49) HTR2CHTR2AHTR2BCYP1A2KIT
SCHEMBL17618816 0.89 CYP1A2 (0.48) HTR2CHTR2ACYP1A2MEN1KMT2A

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 4359/4885HTR2B 4076/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885HTR2B 4224/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885HTR2B 4224/4885

“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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