Sugi Predict

Sugi Predict / Compounds / SCHEMBL20754229

SCHEMBL20754229

SCHEMBL20754229

Nc1ncnc2c1c(Oc1cc(Cl)ccn1)nn2[C@H]1C[C@H](F)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.74
▸ CYP3A4 P08684 3/20 0.74
▸ CYP2D6 P10635 3/20 0.74
▸ CYP2C9 P11712 3/20 0.74
▸ CYP2C19 P33261 3/20 0.74
▸ CSNK1A1 P48729 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ PIK3CD O00329 14/20 0.40
▸ BTK Q06187 6/20 0.40
▸ RET P07949 1/20 0.38
▸ ABL1 P00519 9/20 0.38
▸ EGFR P00533 9/20 0.38
▸ HCK P08631 9/20 0.38
▸ SRC P12931 9/20 0.38
▸ KDR P35968 9/20 0.38
▸ PIK3CA P42336 9/20 0.38
▸ PIK3CB P42338 9/20 0.38
▸ MTOR P42345 9/20 0.38
▸ PIK3CG P48736 9/20 0.38

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
SCHEMBL20744791 1.00 CYP1A2 (0.74) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20744749 0.90 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22944629 0.90 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20744746 0.89 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20754241 0.88 CYP1A2 (0.74) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21806812 0.88 CYP1A2 (0.74) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20744767 0.88 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24006150 0.86 CYP1A2 (0.72) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20754435 0.85 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20754258 0.84 CYP1A2 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518761-B2 CDPK1 inhibitors, compositions, and methods related thereto Vyera Pharmaceuticals, LLC (US) 2022-12-06 — — US disclosed
US-20210347780-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2021-11-11 — — US disclosed
US-20210032240-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2021-02-04 — — US disclosed
WO-2019036001-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-21 — — WO 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 (3 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
US-11518761-B2 CDPK1 inhibitors, compositions, and methods related thereto CAMKK1, CAMK1, CAMKK2 CYP1A2 4233/4885CYP3A4 3951/4885CYP2D6 4463/4885
US-20210032240-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.