SCHEMBL17618360

SCHEMBL17618360

O=C(Nc1ccncc1F)N1c2nc(-c3cccc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ PIM3 Q86V86 7/20 0.36
▸ PIM2 Q9P1W9 7/20 0.36
▸ PIM1 P11309 6/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CYBB P04839 1/20 0.34
▸ CNR2 P34972 2/20 0.34

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
SCHEMBL17618645 0.95 GRM5 (0.40) GRM5HTTPIM3PIM2PIM1
SCHEMBL17618404 0.92 TRPV1 (0.42) PIM3PIM2PIM1TRPV1JAK2
SCHEMBL17618377 0.90 GRM5 (0.38) GRM5PIM3PIM2RAB9ASMN1; SMN2
SCHEMBL19365347 0.90 BTK (0.36) PIM3PIM2PIM1TRPV1GPR6
SCHEMBL19699041 0.90 MAPT (0.40) GRM5RAB9ASMN1; SMN2TRPV1MAPT
SCHEMBL17618459 0.89 PIM2 (0.38) PIM3PIM2PIM1TRPV1JAK2
SCHEMBL16238183 0.89 RPS6KB1 (0.39) MAPT
SCHEMBL17618453 0.88 GPR6 (0.39) SMN1; SMN2JAK2GPR6
SCHEMBL17618462 0.87 ABL1 (0.41) IRAK4
SCHEMBL17618437 0.87 CNR2 (0.39) GRM5RAB9ASMN1; SMN2MAPTJAK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 GRM5 4062/4885HTT 315/4885PIM3 3869/4885

“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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