SCHEMBL3770604

SCHEMBL3770604

CC(C)(C)N(CC1(CNc2cnc(Cl)c(-c3ccc(N)cc3)c2)CC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.33
USP28 Q96RU2 1/20 0.32
MAP4K4 O95819 3/20 0.32
CCNT1 O60563 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
MAPK8 P45983 1/20 0.30

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
SCHEMBL3771958 0.92 MAP4K4 (0.35) FFAR4MAP4K4CCNT1CDK2CDK9
SCHEMBL3843144 0.90 ABL1 (0.34) SLC22A12
SCHEMBL3773176 0.88 EGLN1 (0.38) SLC22A12
SCHEMBL3765795 0.81 ALDH1A1 (0.31)
SCHEMBL3145780 0.81 MAP4K4 (0.34) FFAR4USP28MAP4K4CCNT1CDK2
SCHEMBL3770601 0.77 CCNT1 (0.34) FFAR4MAP4K4CCNT1CDK2CDK9
SCHEMBL3781385 0.74 FFAR4 (0.38) FFAR4MAP4K4
SCHEMBL3779166 0.74 FFAR4 (0.38) FFAR4MAP4K4
SCHEMBL3141366 0.74 SYK (0.37) CCNT1CDK2CDK9
SCHEMBL3782751 0.74 FFAR4 (0.41) FFAR4MAP4K4

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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG FFAR4 110/4885USP28 3661/4885MAP4K4 3835/4885

“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.