SCHEMBL1679150

SCHEMBL1679150

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

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 3/20 0.71
▸ FYN P06241 7/20 0.67
▸ MAP4K4 O95819 6/20 0.65
▸ CHEK1 O14757 1/20 0.57
▸ NEK1 Q96PY6 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ TGFBR1 P36897 1/20 0.53
▸ ACVR1 Q04771 1/20 0.53

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
SCHEMBL1679484 0.82 CHEK2 (0.60) CHEK2FYNMAP4K4CHEK1NEK1
SCHEMBL4254012 0.82 STIM1 (0.62) —
SCHEMBL1679706 0.81 PRKD3 (0.75) CHEK2FYNMAP4K4CHEK1
SCHEMBL4620276 0.80 FYN (1.00) CHEK2FYNMAP4K4CHEK1TGFBR1
SCHEMBL30521818 0.80 FYN (1.00) CHEK2FYNMAP4K4CHEK1TGFBR1
SCHEMBL5118154 0.80 CHEK2 (0.57) CHEK2FYNMAP4K4CHEK1SRC
SCHEMBL1679734 0.79 CHEK2 (0.56) CHEK2FYNCHEK1NEK1TGFBR1
SCHEMBL1679485 0.79 PRKD3 (0.65) CHEK2FYNCHEK1NEK1
SCHEMBL30521781 0.79 FYN (1.00) CHEK2FYNCHEK1TGFBR1
SCHEMBL18613463 0.79 FYN (1.00) CHEK2FYNCHEK1TGFBR1

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 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
EP-2114887-A1 PYRIDINE BENZAMIDES AND PYRAZINE BENZAMIDES USED AS PKD INHIBITORS Cancer Research Technology Limited (GB) 2009-11-11 — — EP 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 1665/4885MAP4K4 31/4885

“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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