SCHEMBL1679753

SCHEMBL1679753

COc1cc(-c2cc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cnc2N)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.68
KCNH2 Q12809 1/20 0.62
CHEK2 O96017 3/20 0.59
CHEK1 O14757 1/20 0.59
TGFBR1 P36897 1/20 0.55
ERN1 O75460 1/20 0.55

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
SCHEMBL1678990 0.86 FYN (0.69) FYNKCNH2ERN1
SCHEMBL4619233 0.86 FYN (0.74) FYNKCNH2
SCHEMBL1679092 0.83 FYN (0.80) FYNCHEK2CHEK1TGFBR1
SCHEMBL20485814 0.81 FYN (1.00) FYNKCNH2
SCHEMBL30521848 0.81 FYN (1.00) FYNKCNH2
SCHEMBL18613685 0.79 FYN (1.00) FYNCHEK2TGFBR1
SCHEMBL18613285 0.77 FYN (1.00) FYNCHEK2CHEK1TGFBR1
SCHEMBL30521781 0.77 FYN (1.00) FYNCHEK2CHEK1TGFBR1
SCHEMBL18613463 0.77 FYN (1.00) FYNCHEK2CHEK1TGFBR1
SCHEMBL30521772 0.77 FYN (1.00) FYNCHEK2CHEK1TGFBR1

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 FYN 1665/4885KCNH2 237/4885CHEK2 587/4885

“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.