SCHEMBL19699706

SCHEMBL19699706

O=C(Nc1ccccn1)N1c2nc(-c3ccc(N4CCCC4)nc3)ccc2N2CC[C@H]1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.47
▸ DGAT2 Q96PD7 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SCD O00767 1/20 0.36
▸ SYK P43405 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ RET P07949 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ ZAP70 P43403 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 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
SCHEMBL16754584 0.99 CNR2 (0.48) CNR2DGAT2GRM5MEN1KMT2A
SCHEMBL16754662 0.99 CNR2 (0.48) CNR2DGAT2GRM5MEN1KMT2A
SCHEMBL16754388 0.93 ATR (0.42) CNR2JAK1ZAP70HDAC10HDAC1
SCHEMBL16754318 0.91 GRM5 (0.39) CNR2DGAT2GRM5MEN1KMT2A
SCHEMBL17618510 0.89 PIK3CA (0.41) GRM5MEN1KMT2AGSK3BDYRK1A
SCHEMBL17618682 0.88 GSK3B (0.39) DGAT2GRM5MEN1KMT2AGSK3B
SCHEMBL17768254 0.88 GRM5 (0.37) GRM5MEN1KMT2AGSK3BDYRK1A
SCHEMBL19361197 0.88 FAAH (0.43) GRM5MEN1KMT2ATRPV1FAAH
SCHEMBL19689743 0.87 SCD (0.40) GRM5MEN1KMT2ASCDGSK3B
SCHEMBL19670680 0.86 FGFR4 (0.38) GRM5MEN1KMT2AGSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3136/4885DGAT2 1321/4885GRM5 3937/4885

“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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