SCHEMBL1679734

SCHEMBL1679734

COc1cccc(-c2cc(-c3cccc(C(=O)NC(C)CN(C)C)c3)cnc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.56
▸ PRKD3 O94806 1/20 0.53
▸ PRKD1 Q15139 1/20 0.53
▸ PRKD2 Q9BZL6 1/20 0.53
▸ FYN P06241 8/20 0.53
▸ CHEK1 O14757 1/20 0.51
▸ ROCK2 O75116 5/20 0.49
▸ ROCK1 Q13464 5/20 0.49
▸ NEK1 Q96PY6 1/20 0.46
▸ PTAFR P25105 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ ACVR1 Q04771 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
SCHEMBL1679706 0.83 PRKD3 (0.75) CHEK2PRKD3PRKD1PRKD2FYN
SCHEMBL1679484 0.79 CHEK2 (0.60) CHEK2PRKD3PRKD1PRKD2FYN
SCHEMBL1679150 0.79 CHEK2 (0.71) CHEK2FYNCHEK1NEK1TGFBR1
SCHEMBL1679437 0.78 PRKD3 (0.72) CHEK2PRKD3PRKD1PRKD2FYN
SCHEMBL1679485 0.78 PRKD3 (0.65) CHEK2PRKD3PRKD1PRKD2FYN
SCHEMBL1679588 0.78 PRKD3 (0.72) CHEK2PRKD3PRKD1PRKD2FYN
SCHEMBL1679585 0.77 PRKD3 (0.87) CHEK2PRKD3PRKD1PRKD2FYN
SCHEMBL1679110 0.76 PRKD3 (0.86) CHEK2PRKD3PRKD1PRKD2FYN
SCHEMBL1679478 0.76 PRKD3 (0.77) CHEK2PRKD3PRKD1PRKD2FYN
SCHEMBL1679133 0.76 PRKD3 (0.69) CHEK2PRKD3PRKD1PRKD2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 — — US claimed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 — — US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 — — US disclosed
US-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-04-28 — — US disclosed
WO-2008074997-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 — — 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-20110098325-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS PKD2, PKD1, BAZ2B CHEK2 587/4885PRKD3 38/4885PRKD1 33/4885

“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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