SCHEMBL19699074

SCHEMBL19699074

CCN1CCCCN(C(=O)Nc2cnccn2)c2nc(-c3cncc(Cl)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ DYRK1A Q13627 4/20 0.35
▸ CLK2 P49760 3/20 0.35
▸ CLK3 P49761 3/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ POLB P06746 2/20 0.33
▸ FGFR4 P22455 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 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
SCHEMBL19699070 0.91 FGFR4 (0.41) FAAHKMT2ADYRK1AWNT1MEN1
SCHEMBL19699072 0.87 DYRK1A (0.35) FAAHDYRK1ACLK2CLK3WNT1
SCHEMBL19699071 0.87 HTR2C (0.47) —
SCHEMBL19699069 0.85 FGFR4 (0.46) FAAHKMT2ACYP11B2MEN1FGFR4
SCHEMBL19670124 0.84 WNT3A (0.40) CYP11B2
SCHEMBL19670496 0.84 MTOR (0.38) FAAHKMT2ADYRK1AKDM4ERAB9A
SCHEMBL19670433 0.81 ALOX15 (0.36) DYRK1ACLK2CHRNB2CHRNB4CHRNA3
SCHEMBL19670344 0.80 FGFR4 (0.35) FAAHKMT2ACYP11B2KDM4ERAB9A
SCHEMBL12654669 0.79 CNR2 (0.50) FAAHKMT2AKDM4EFGFR4
SCHEMBL20632331 0.79 DYRK1A (0.40) FAAHKMT2ADYRK1ACYP11B2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885KMT2A 1438/4885DYRK1A 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.

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