SCHEMBL19670501

SCHEMBL19670501

C/N=C/c1cc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.35
▸ MLLT1 Q03111 3/20 0.34
▸ DYRK1A Q13627 6/20 0.33
▸ GSK3B P49841 5/20 0.33
▸ CTPS1 P17812 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ PRKD1 Q15139 1/20 0.31
▸ SCD O00767 1/20 0.31
▸ KARS1 Q15046 1/20 0.31

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
SCHEMBL19706574 0.88 FAAH (0.35) FAAHMLLT1DYRK1AGSK3BCTPS1
SCHEMBL19706066 0.87 FAAH (0.35) FAAHDYRK1AGSK3BPRKD1KARS1
SCHEMBL19670259 0.87 FAAH (0.35) FAAHDYRK1AGSK3BPRKD1KARS1
SCHEMBL19670616 0.86 KDM4E (0.33) FAAHDYRK1APIK3CA
SCHEMBL17618560 0.85 WNT3A (0.40) FAAHGSK3BPRKD1KARS1
SCHEMBL19670642 0.84 KDM4E (0.32) FAAHDYRK1AGSK3B
SCHEMBL19361182 0.84 FAAH (0.38) FAAHMLLT1GSK3BMALT1KARS1
SCHEMBL17618644 0.84 HRH3 (0.39) FAAHMALT1ABL1
SCHEMBL19365314 0.84 FAAH (0.38) FAAHMLLT1DYRK1AGSK3BCTPS1
SCHEMBL16776496 0.84 KDM4E (0.40) FAAHDYRK1AGSK3BABL1PRKD1

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 3 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 977/4885MLLT1 2129/4885DYRK1A 2623/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885MLLT1 2129/4885DYRK1A 2623/4885

“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