SCHEMBL23229094

SCHEMBL23229094

Cc1nc(C=O)c(Cl)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
JAK2 O60674 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
PAX8 Q06710 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28725721 0.77 MEN1 (0.31) CYP1A2MEN1KMT2A
SCHEMBL9798631 0.73 EGFR (0.34)
SCHEMBL1697663 0.73 KCNJ1 (0.37)
SCHEMBL31080718 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EJAK2LMNAHPGD
SCHEMBL10032805 0.70 KDM4E (0.35) ALDH1A1KDM4EJAK2LMNAHPGD
SCHEMBL22444361 0.69 KDM4E (0.38) CYP1A2CYP2C19ALDH1A1KDM4EJAK2
SCHEMBL1191060 0.69 EGFR (0.41)
SCHEMBL17408868 0.67 KCNJ1 (0.34)
SCHEMBL20144423 0.67 BCHE (0.36)
SCHEMBL16398542 0.65 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11466016-B2 Pharmaceutical compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-10-11 US disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 US disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 US disclosed
EP-3759111-A1 PHARMACEUTICAL COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2021-01-06 EP disclosed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 CN 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 (2 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-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 CYP1A2 191/4885CYP3A4 68/4885CYP2D6 97/4885
US-11466016-B2 Pharmaceutical compounds MAPT, CYP3A5, SLC5A1 CYP1A2 191/4885CYP3A4 68/4885CYP2D6 97/4885

“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.