SCHEMBL20074182

SCHEMBL20074182

CCCc1cc(=O)n2ncnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
RAB9A P51151 1/20 0.47
MAPK10 P53779 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 3/20 0.46
MPO P05164 1/20 0.39
TPO P07202 1/20 0.39
LPO P22079 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAS2R38 P59533 1/20 0.39
KDM5B Q9UGL1 3/20 0.36
KDM5A P29375 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL20074180 0.87 TSHR (0.45) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL15083750 0.75 TSHR (0.43) ALDH1A1HPGDKDM4ERAB9ASMN1; SMN2
SCHEMBL12290353 0.74 SOD1 (0.50) ALDH1A1KDM4ERAB9ASMN1; SMN2TSHR
SCHEMBL21681604 0.74 KDM4E (0.49) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL12953817 0.73 KDM4E (0.45) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL26662250 0.73 KDM4E (0.48) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL30217893 0.71 KDM4E (0.46) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL26662277 0.70 KDM4E (0.45) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL17034262 0.68 TSHR (0.55) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL12326335 0.68 FABP4 (0.43) ALDH1A1HPGDTSHRTDP1MEN1

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
EP-4153593-A1 CGAS INHIBITING TRIAZOLOPYRIMIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-03-29 EP claimed
US-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071283-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C ALDH1A1 1399/4885HPGD 3907/4885KDM4E 11/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C ALDH1A1 1399/4885HPGD 3907/4885KDM4E 11/4885

“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.