SCHEMBL17618461

SCHEMBL17618461

O=C(Nc1ccncc1F)N1c2nc(-c3ccccc3C(F)(F)F)ccc2N2CC[C@H]1C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 7/20 0.48
▸ PIM1 P11309 4/20 0.48
▸ PIM3 Q86V86 4/20 0.48
▸ GSK3B P49841 3/20 0.44
▸ PRKCA P17252 2/20 0.44
▸ PRKCQ Q04759 2/20 0.44
▸ TRPV1 Q8NER1 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ RBP4 P02753 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ KMO O15229 1/20 0.33

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
SCHEMBL20633411 0.90 PIM2 (0.45) PIM2PIM1PIM3GSK3BPRKCA
SCHEMBL16238183 0.84 RPS6KB1 (0.39) GSK3AKMO
SCHEMBL17618443 0.83 TRPV1 (0.49) PIM2PIM1PIM3GSK3BPRKCA
SCHEMBL19670232 0.83 PIM2 (0.43) PIM2PIM1PIM3GSK3BPRKCA
SCHEMBL17618436 0.83 TRPV1 (0.41) PIM2PIM1PIM3GSK3BPRKCA
SCHEMBL17618460 0.83 CYP2C19 (0.37) PIM2PIM3CYP2C19
SCHEMBL17618404 0.82 TRPV1 (0.42) PIM2PIM1PIM3GSK3BTRPV1
SCHEMBL17618462 0.81 ABL1 (0.41) DYRK1A
SCHEMBL17618360 0.81 GRM5 (0.37) PIM2PIM1PIM3TRPV1
SCHEMBL19365347 0.81 BTK (0.36) PIM2PIM1PIM3TRPV1

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 10 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
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP 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 PIM2 3491/4885PIM1 3195/4885PIM3 3869/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM1 2799/4885PIM3 3489/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM1 2799/4885PIM3 3489/4885

“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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