Sugi Predict

Sugi Predict / Compounds / SCHEMBL20744801

SCHEMBL20744801

SCHEMBL20744801

Nc1ncnc2c1c(Oc1cccc(F)c1)nn2[C@H]1C[C@@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ PIK3CD O00329 3/20 0.44
▸ LCK P06239 2/20 0.44
▸ SRC P12931 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ CDC7 O00311 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CDK1 P06493 1/20 0.44

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
SCHEMBL20744802 1.00 BTK (0.49) BTKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20754366 0.91 CYP1A2 (0.59) BTKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21806807 0.91 CYP1A2 (0.59) BTKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL864640 0.88 BTK (0.56) BTKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20744771 0.83 CYP1A2 (0.43) BTKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20744769 0.83 CYP1A2 (0.43) BTKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20754258 0.80 CYP1A2 (0.58) BTKCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22230740 0.80 BTK (0.62) BTKLCKSRCKDRPRKD3
SCHEMBL29441905 0.80 BTK (0.62) BTKLCKSRCKDRPRKD3
SCHEMBL20754254 0.79 BTK (0.39) BTKRET

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 6 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
EP-3668875-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2020-06-24 — — EP disclosed
WO-2019036001-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-21 — — WO 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 BTK 635/4885CYP1A2 4233/4885CYP3A4 3951/4885
US-11518761-B2 CDPK1 inhibitors, compositions, and methods related thereto CAMKK1, CAMK1, CAMKK2 BTK 635/4885CYP1A2 4233/4885CYP3A4 3951/4885
US-20210032240-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO CAMKK1, CAMK1, CAMKK2 BTK 635/4885CYP1A2 4233/4885CYP3A4 3951/4885

“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.