SCHEMBL29339727

SCHEMBL29339727

CC(C)c1ccn2ncc(N)c2n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 16/20 0.57
PIM1 P11309 1/20 0.36
FYN P06241 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL17132579 0.83 SMPD3 (0.38) SMPD3FYN
SCHEMBL22834485 0.83 SMPD3 (0.53) SMPD3PIM1
SCHEMBL13975698 0.81 SMPD3 (0.37) SMPD3PIM1FYNKDM4E
SCHEMBL17132558 0.81 SCN5A (0.43) SMPD3PIM1FYNKDM4E
SCHEMBL24422759 0.77 SMPD3 (0.34) SMPD3FYNKDM4E
SCHEMBL18352332 0.77 SCN5A (0.35) SMPD3FYN
SCHEMBL26142034 0.77 SMPD3 (0.34) SMPD3FYN
SCHEMBL26141124 0.77 SMPD3 (0.34) SMPD3FYN
SCHEMBL7460458 0.77 SMPD3 (0.67) SMPD3PIM1
SCHEMBL26351968 0.76 TGFBR1 (0.46) KDM4E

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 SMPD3 1404/4885PIM1 4508/4885FYN 2541/4885

“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.