SCHEMBL1679484

SCHEMBL1679484

COc1cccc(-c2cc(-c3cccc(C(=O)N(C)CCN(C)C)c3)cnc2N)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 3/20 0.60
▸ FYN P06241 9/20 0.56
▸ PRKD3 O94806 1/20 0.54
▸ PRKD1 Q15139 1/20 0.54
▸ PRKD2 Q9BZL6 1/20 0.54
▸ CHEK1 O14757 1/20 0.52
▸ ATR Q13535 1/20 0.51
▸ HSD17B2 P37059 1/20 0.48
▸ NEK1 Q96PY6 1/20 0.47
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ TGFBR1 P36897 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46

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 0.85 PRKD3 (0.75) CHEK2FYNPRKD3PRKD1PRKD2
SCHEMBL1679150 0.82 CHEK2 (0.71) CHEK2FYNCHEK1NEK1MAP4K4
SCHEMBL1679734 0.79 CHEK2 (0.56) CHEK2FYNPRKD3PRKD1PRKD2
SCHEMBL1679588 0.79 PRKD3 (0.72) CHEK2FYNPRKD3PRKD1PRKD2
SCHEMBL1679585 0.78 PRKD3 (0.87) CHEK2FYNPRKD3PRKD1PRKD2
SCHEMBL1679485 0.77 PRKD3 (0.65) CHEK2FYNPRKD3PRKD1PRKD2
SCHEMBL1679110 0.77 PRKD3 (0.86) CHEK2FYNPRKD3PRKD1PRKD2
SCHEMBL1679478 0.77 PRKD3 (0.77) CHEK2FYNPRKD3PRKD1PRKD2
SCHEMBL2750376 0.77 ATR (0.54) FYNPRKD3PRKD1PRKD2ATR
SCHEMBL1679133 0.77 PRKD3 (0.69) CHEK2FYNPRKD3PRKD1PRKD2

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 587/4885FYN 1665/4885PRKD3 38/4885

“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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