SCHEMBL21159736

SCHEMBL21159736

CC(O)c1nn(CC(=O)O)c2ccc(-c3cccnc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.45
▸ NR4A2 P43354 1/20 0.44
▸ CYP11B1 P15538 3/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ DYRK1A Q13627 3/20 0.42
▸ METAP2 P50579 1/20 0.40
▸ CFD P00746 4/20 0.40
▸ KMO O15229 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL18610742 0.82 CFD (0.51) HSD17B10CFD
SCHEMBL29544975 0.82 CFD (0.54) NTSR1NR4A2CYP11B1CYP11B2HSD17B10
SCHEMBL18554973 0.82 CFD (0.54) NTSR1NR4A2CYP11B1CYP11B2HSD17B10
SCHEMBL21159714 0.80 CFD (0.49) NR4A2CYP11B1CYP11B2HSD17B10CFD
SCHEMBL24114234 0.77 PTGDR2 (0.43) HSD17B10CFD
SCHEMBL24093933 0.76 HSD17B10 (0.58) HSD17B10
SCHEMBL24114238 0.74 CFD (0.39) NTSR1HSD17B10CFD
SCHEMBL24093885 0.72 LMNA (0.43) HSD17B10CFD
SCHEMBL21752753 0.70 CFD (0.46) CFD
SCHEMBL18554895 0.69 MKNK1 (0.52) NR4A2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 — — US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 — — US 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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 NTSR1 2500/4885NR4A2 962/4885CYP11B1 336/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 NTSR1 2473/4885NR4A2 1041/4885CYP11B1 339/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 NTSR1 2500/4885NR4A2 962/4885CYP11B1 336/4885

“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.

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