SCHEMBL1679652

SCHEMBL1679652

COc1cc(-c2cc(-c3cccc(C(=O)NCCN(C)C)c3)cnc2N)cc(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FYN P06241 17/20 0.81
PRKD3 O94806 1/20 0.67
PRKD1 Q15139 1/20 0.67
PRKD2 Q9BZL6 1/20 0.67
TGFBR1 P36897 3/20 0.58
ACVR1 Q04771 2/20 0.58
BMPR1A P36894 1/20 0.58
ACVRL1 P37023 1/20 0.58
RAD52 P43351 1/20 0.57

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
SCHEMBL1679531 0.91 PRKD3 (0.72) FYNPRKD3PRKD1PRKD2RAD52
SCHEMBL30521730 0.90 FYN (1.00) FYNPRKD3PRKD1PRKD2TGFBR1
SCHEMBL18613388 0.90 FYN (1.00) FYNPRKD3PRKD1PRKD2TGFBR1
SCHEMBL1679474 0.89 PRKD3 (0.70) FYNPRKD3PRKD1PRKD2TGFBR1
SCHEMBL1679588 0.89 PRKD3 (0.72) FYNPRKD3PRKD1PRKD2RAD52
SCHEMBL1679095 0.89 PRKD3 (0.69) FYNPRKD3PRKD1PRKD2RAD52
SCHEMBL1679726 0.88 PRKD3 (0.68) FYNPRKD3PRKD1PRKD2RAD52
SCHEMBL1679172 0.88 PRKD3 (0.63) FYNPRKD3PRKD1PRKD2RAD52
SCHEMBL1679706 0.87 PRKD3 (0.75) FYNPRKD3PRKD1PRKD2RAD52
SCHEMBL1679478 0.87 PRKD3 (0.77) FYNPRKD3PRKD1PRKD2RAD52

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 1665/4885PRKD3 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.