SCHEMBL9733532

SCHEMBL9733532

Cc1cc(=O)c2ccncc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 2/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM5A P29375 2/20 0.51
MAPT P10636 1/20 0.49
HPGD P15428 4/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
PARP1 P09874 1/20 0.49
CHUK O15111 5/20 0.46
KDM4E B2RXH2 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
PIM1 P11309 1/20 0.46
TOP1 P11387 1/20 0.46
GABRA1 P14867 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL29845683 0.86 CYP1A2 (0.58) CYP1A2GAALMNAALDH1A1MAPT
SCHEMBL19984551 0.76 KDM5A (0.67) CYP1A2GAALMNAALDH1A1KDM5A
SCHEMBL30474111 0.76 KDM5A (0.67) CYP1A2GAALMNAALDH1A1KDM5A
SCHEMBL527043 0.73 CYP1A2 (1.00) CYP1A2GAALMNAALDH1A1MAPT
SCHEMBL2464427 0.73 DAO (0.53) ALDH1A1MAPTHPGDKEAP1CHUK
SCHEMBL16442084 0.72 ALDH1A1 (0.72) CYP1A2GAALMNAALDH1A1MAPT
SCHEMBL26606899 0.72 KIF11 (0.40) ALDH1A1KDM5AMAPTHPGDPARP1
SCHEMBL19047346 0.71 PARP1 (0.49) ALDH1A1KDM5AHPGDPARP1CHUK
SCHEMBL16650949 0.71 KDM4E (0.58) GAAKDM5AMAPTPARP1KDM4E
SCHEMBL31338639 0.71 PARP1 (0.49) ALDH1A1KDM5AHPGDPARP1CHUK

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-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases THE UNIVERSITY OF CHICAGO 2020-09-10 US disclosed
US-5126344-A Angiotensin antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-30 US disclosed
EP-0454831-A1 Diazine derivatives as angiotensin II receptor antagonists. ICI PLC (GB) 1991-11-06 EP disclosed
WO-1991007404-A1 DIAZINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-30 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 (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-20200283391-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB CYP1A2 456/4885GAA 3214/4885LMNA 3310/4885
US-20230140413-A1 Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases TUBB1, MYADM, TUBB CYP1A2 504/4885GAA 2895/4885LMNA 3064/4885

“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.