SCHEMBL7017850

SCHEMBL7017850

CCc1c(C)nc2[nH]ccn2c1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.59
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 7/20 0.45
HSD17B10 Q99714 5/20 0.45
HPGD P15428 5/20 0.44
KDM5A P29375 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.38
FPR1 P21462 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL7018995 0.80 KDM5B (0.35) KDM5BKDM4EALDH1A1HPGDCYP1A2
SCHEMBL27311213 0.77 TDP1 (0.49) KDM5BRAB9ANPC1SMN1; SMN2
SCHEMBL7016511 0.74 KDM5B (0.44) KDM5BKDM5ALMNASMN1; SMN2
SCHEMBL24097994 0.70 BRD4 (0.33)
SCHEMBL31677987 0.69 KDM5B (0.43) KDM5BKDM4EALDH1A1HSD17B10LMNA
SCHEMBL31661272 0.68 KMT2A (0.50) KDM4EALDH1A1HSD17B10LMNACYP1A2
SCHEMBL8471789 0.68 TDP1 (0.62) KDM5BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6501337 0.68 ENPP2 (0.64) KDM5BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL24236856 0.67 LMNA (0.32) KDM4EHSD17B10LMNACYP1A2
SCHEMBL11357153 0.67 KDM4E (0.55) KDM5BKDM4EALDH1A1HSD17B10HPGD

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-20210128561-A1 MRGX Receptor Antagonists KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-05-06 US disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP 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 (1 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-20210128561-A1 MRGX Receptor Antagonists MRGPRX2, MRGPRX1, MRGPRX4 KDM5B 2722/4885KDM4E 3530/4885ALDH1A1 4144/4885

“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.