SCHEMBL3785304

SCHEMBL3785304

COc1ccc(C2N3CN4CN(C3)CN2C4)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA2 P00918 4/20 0.44
CA1 P00915 2/20 0.44
CA7 P43166 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44

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
SCHEMBL3778769 0.75 HTR2C (0.47) MEN1KMT2AKDM4EGAA
SCHEMBL3787596 0.74 ALDH1A1 (0.54) KMT2ACA2CA1CA7CA12
SCHEMBL23268494 0.72 MEN1 (0.54) MEN1KMT2ACA2CA1CA7
SCHEMBL3692141 0.72 MEN1 (0.58) MEN1KMT2ACA2CA1CA7
SCHEMBL23268487 0.72 MEN1 (0.58) MEN1KMT2ACA2CA1CA7
SCHEMBL31172738 0.72 MEN1 (0.58) MEN1KMT2ACA2CA1CA7
SCHEMBL25705273 0.72 MEN1 (0.54) MEN1KMT2ACA2CA1CA7
SCHEMBL25705924 0.69 MEN1 (0.59) MEN1KMT2ACA2CA1CA7
SCHEMBL23268480 0.69 MEN1 (0.55) MEN1KMT2ACA2CA1CA7
SCHEMBL30360992 0.68 CYP3A4 (0.59) MEN1KMT2ACA2CA1CA7

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-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO EARLY DISCOVERY, INC. 2017-08-03 US disclosed
US-8710089-B2 Triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2014-04-29 US disclosed
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2010-12-30 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-20170216262-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 MEN1 2292/4885KMT2A 1176/4885CA2 550/4885
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 MEN1 3237/4885KMT2A 3586/4885CA2 4472/4885

“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.