SCHEMBL17618551

SCHEMBL17618551

O=C(Nc1cnccn1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ FAAH O00519 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ MALT1 Q9UDY8 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
SCHEMBL17618642 0.95 DGAT2 (0.36) MAPTGSK3BFAAHKMT2AGRM5
SCHEMBL17618748 0.95 MAPT (0.37) MAPTGSK3BFAAHKMT2AABL1
SCHEMBL17618595 0.93 KMT2A (0.36) MAPTFAAHKMT2APOLBKDM4E
SCHEMBL17618539 0.91 CNR2 (0.39) MAPTGSK3BFAAHKMT2AABL1
SCHEMBL17618424 0.91 GRM5 (0.44) MAPTFAAHKMT2APOLBKDM4E
SCHEMBL17618624 0.90 GSK3B (0.39) GSK3BFAAHABL1
SCHEMBL17778903 0.90 FAAH (0.35) GSK3BFAAHKMT2AKDM4ERAB9A
SCHEMBL16754331 0.90 FAAH (0.35) GSK3BFAAHKMT2AKDM4ERAB9A
SCHEMBL17618526 0.89 FAAH (0.35) MAPTGSK3BFAAHABL1
SCHEMBL17618678 0.89 KMO (0.36) MAPTGSK3BFAAHKMT2AABL1

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 MAPT 303/4885GSK3B 2465/4885FAAH 1092/4885

“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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