SCHEMBL17670334

SCHEMBL17670334

Cc1cc(C(=O)O)cc(CNCc2nccn2Cc2cccc(C#N)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALKBH1 Q13686 1/20 0.38
▸ VNN1 O95497 3/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90B1 P14625 1/20 0.38
▸ YTHDC1 Q96MU7 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ KLKB1 P03952 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ IDO1 P14902 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
SCHEMBL17670434 0.86 KLKB1 (0.39) HSP90AA1HSP90B1YTHDC1KLKB1HDAC1
SCHEMBL17670471 0.82 P2RY14 (0.38) HSP90AA1HSP90B1
SCHEMBL17549883 0.82 HSP90AA1 (0.44) HSP90AA1HSP90B1
SCHEMBL17670496 0.81 ALDH1A1 (0.40) HSP90AA1HSP90B1HDAC1L3MBTL1
SCHEMBL19522722 0.78 KDM4C (0.42) ALKBH1BRD4HSP90AA1HSP90B1HDAC1
SCHEMBL17549907 0.76 BRD4 (0.34) BRD4L3MBTL1
SCHEMBL17549930 0.75 MEN1 (0.32) L3MBTL1
SCHEMBL17670467 0.75 ADORA2A (0.34) RXFP1L3MBTL1
SCHEMBL17683749 0.73 YTHDC1 (0.34) HSP90AA1HSP90B1YTHDC1
SCHEMBL17544777 0.73 HSP90AA1 (0.36) VNN1BRD4HSP90AA1HSP90B1L3MBTL1

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-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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 (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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 ALKBH1 253/4885VNN1 4049/4885BRD4 212/4885

“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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