SCHEMBL21152604

SCHEMBL21152604

Cc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 18/20 1.00
MKNK2 Q9HBH9 18/20 1.00
CYP3A4 P08684 1/20 0.61
FYN P06241 2/20 0.57

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
SCHEMBL15288106 0.91 MKNK1 (1.00) MKNK1MKNK2FYN
SCHEMBL18012889 0.91 MKNK1 (1.00) MKNK1MKNK2CYP3A4FYN
SCHEMBL20146791 0.91 MKNK1 (0.84) MKNK1MKNK2
SCHEMBL16291078 0.90 MKNK1 (1.00) MKNK1MKNK2CYP3A4FYN
SCHEMBL19243808 0.90 MKNK1 (0.81) MKNK1MKNK2CYP3A4
SCHEMBL19243707 0.89 MKNK1 (0.81) MKNK1MKNK2CYP3A4
SCHEMBL19243864 0.89 MKNK1 (0.81) MKNK1MKNK2
SCHEMBL15285845 0.89 MKNK1 (1.00) MKNK1MKNK2CYP3A4FYN
SCHEMBL19243748 0.89 MKNK1 (0.79) MKNK1MKNK2FYN
SCHEMBL15288575 0.88 MKNK1 (1.00) MKNK1MKNK2CYP3A4

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-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-07-11 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-20190211020-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 MKNK1 6/4885MKNK2 3/4885CYP3A4 3519/4885

“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.