SCHEMBL24006204

SCHEMBL24006204

COc1ccnc(Oc2nn([C@H]3CCCC[C@H]3O)c3ncnc(N)c23)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.73
CYP3A4 P08684 3/20 0.73
CYP2D6 P10635 3/20 0.73
CYP2C9 P11712 3/20 0.73
CYP2C19 P33261 3/20 0.73
SRC P12931 10/20 0.43
ABL1 P00519 9/20 0.43
EGFR P00533 9/20 0.43
ABL2 P42684 3/20 0.43
PIK3CD O00329 9/20 0.42
KDR P35968 7/20 0.42
HCK P08631 6/20 0.42
PIK3CA P42336 6/20 0.42
PIK3CB P42338 6/20 0.42
MTOR P42345 6/20 0.42
PIK3CG P48736 6/20 0.42
EPHB4 P54760 6/20 0.42
PRKDC P78527 6/20 0.42
PI4KB Q9UBF8 6/20 0.42
FGFR2 P21802 2/20 0.40

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
SCHEMBL24005982 1.00 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24006127 1.00 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24005968 1.00 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24006085 1.00 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24005832 1.00 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24005843 0.87 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24005971 0.87 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24005969 0.87 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24005833 0.87 CYP1A2 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24005983 0.87 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-20210347780-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2021-11-11 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-20210347780-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO CAMKK1, CAMK1, CAMKK2 CYP1A2 4233/4885CYP3A4 3951/4885CYP2D6 4463/4885

“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.