SCHEMBL17624529

SCHEMBL17624529

O=C(Nc1cccc(-c2cccnc2)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ IDH2 P48735 6/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ PIKFYVE Q9Y2I7 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 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
SCHEMBL17618354 0.91 HTR2C (0.48) KITIDH2HTR2CHTR2ACYP1A2
SCHEMBL17618809 0.90 HTR2C (0.45) KITABL1IDH2HTR2CHTR2A
SCHEMBL17618909 0.90 ALOX15 (0.44) KITIDH2RPS6KB1SCN9A
SCHEMBL17618349 0.89 FAAH (0.40) IDH2HTR2CHTR2AHTR2BSCN9A
SCHEMBL17618769 0.89 RHOA (0.40) IDH2RPS6KB1
SCHEMBL17618905 0.88 PHGDH (0.41) IDH2SCN9A
SCHEMBL16238528 0.88 IDH2 (0.37) IDH2RPS6KB1
SCHEMBL16238412 0.88 PHGDH (0.41) IDH2SCN9A
SCHEMBL17624650 0.88 AURKA (0.36) IDH2
SCHEMBL17624400 0.88 CA2 (0.36) IDH2

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 7 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-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 2865/4885ABL1 3987/4885IDH2 42/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIT 2844/4885ABL1 4089/4885IDH2 34/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KIT 2844/4885ABL1 4089/4885IDH2 34/4885

“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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