SCHEMBL19361182

SCHEMBL19361182

O=C(Nc1cnccn1)N1c2nc(-c3cc(F)c(F)c(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.38
▸ CDK8 P49336 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ MLLT1 Q03111 4/20 0.34
▸ FFAR4 Q5NUL3 5/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ KARS1 Q15046 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL17618621 0.92 FAAH (0.39) FAAHCDK8GSK3AGSK3BCDK9
SCHEMBL16754338 0.90 ABL1 (0.38) FAAHMLLT1KDM4E
SCHEMBL17618624 0.89 GSK3B (0.39) FAAHGSK3B
SCHEMBL17618560 0.89 WNT3A (0.40) FAAHGSK3BKARS1
SCHEMBL17618595 0.89 KMT2A (0.36) FAAHMALT1KARS1KDM4EKMT2A
SCHEMBL16754503 0.89 FAAH (0.36) FAAHGSK3BKARS1KDM4EKMT2A
SCHEMBL19669051 0.88 MAPT (0.38) FAAHGSK3AGSK3BCDK5
SCHEMBL19699702 0.88 GPR6 (0.36) FAAH
SCHEMBL16754578 0.88 GPR6 (0.36) FAAH
SCHEMBL17618644 0.86 HRH3 (0.39) FAAHMALT1

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885CDK8 530/4885GSK3A 2377/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885CDK8 530/4885GSK3A 2377/4885

“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.

Send feedback