SCHEMBL7082682

SCHEMBL7082682

NC(=O)c1cccnc1Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.49
▸ ADRA1D P25100 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ TBXAS1 P24557 4/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ F7 P08709 1/20 0.45
▸ F3 P13726 1/20 0.45
▸ SARM1 Q6SZW1 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45
▸ SIRT4 Q9Y6E7 1/20 0.45
▸ PARP1 P09874 1/20 0.44

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
SCHEMBL31659683 1.00 RECQL (0.49) RECQLADRA1DMAPK8RPS6KB1AKT1
SCHEMBL11628316 0.86 USP2 (0.54) NAPRTTBXAS1CYP3A4CYP2C9KDM4E
SCHEMBL2306128 0.86 SYK (0.48) RPS6KB1NAPRTCYP2C9SIRT2PARP1
SCHEMBL19028143 0.84 CYP17A1 (0.47) NAPRTPARP1KDM4EALDH1A1MAPT
SCHEMBL31659783 0.84 CYP17A1 (0.47) NAPRTPARP1KDM4EALDH1A1MAPT
SCHEMBL16598255 0.83 RECQL (0.50) RECQLADRA1DMAPK8NAPRTTBXAS1
Hydrochloric Acid SCHEMBL11508163 0.83 SYK (0.46) RPS6KB1NAPRTCYP2C9PARP1KDM4E
SCHEMBL7531528 0.82 PARP1 (0.42) RPS6KB1PARP1KDM4EALDH1A1MAPT
SCHEMBL3647368 0.81 RECQL (0.51) RECQLADRA1DMAPK8RPS6KB1AKT1
SCHEMBL29395139 0.81 RECQL (0.51) RECQLADRA1DMAPK8RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 — — US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 — — 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 (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-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 RECQL 842/4885ADRA1D 1877/4885MAPK8 3594/4885

“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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