SCHEMBL21167301

SCHEMBL21167301

CC(C)(C)n1ccc2cccc(Cc3cnc4c(ccn4C(C)(C)C)n3)c2c1=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL23229065 0.75 KMT2A (0.35)
SCHEMBL4076792 0.67 KMT2A (0.41) CYP3A4TSHR
SCHEMBL26597056 0.66 JAK2 (0.41) CYP3A4TSHR
SCHEMBL24995507 0.63 PDE10A (0.31)
SCHEMBL23229059 0.62 ALDH1A1 (0.33) CYP3A4CYP2C9
SCHEMBL12775635 0.61 ELANE (0.42)
SCHEMBL21931157 0.61 MAPT (0.44) CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL23229066 0.59 SMN1; SMN2 (0.36) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL122923 0.59 KDM4E (0.41) TSHR
SCHEMBL4076727 0.59 PARP1 (0.46) CYP3A4CYP2D6CYP2C19

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-20190218257-A1 NOVEL NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-18 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-20190218257-A1 NOVEL NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF SLC35B2, SLC29A2, PNP CYP3A4 1883/4885CYP2D6 1961/4885CYP2C9 1719/4885

“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.