SCHEMBL1679100

SCHEMBL1679100

COc1cc(-c2cncc(-c3cccc(C(=O)NCCN)c3)n2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.57
GRK5 P34947 1/20 0.54
KISS1R Q969F8 2/20 0.51
CSF1R P07333 3/20 0.48
DAPK1 P53355 1/20 0.45
ERN1 O75460 1/20 0.43
MAPK1 P28482 1/20 0.43
PIK3CA P42336 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
PTK2 Q05397 1/20 0.43
BRAF P15056 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43

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
SCHEMBL1679113 0.88 FYN (0.68) FYNGRK5CSF1RDAPK1MAPK8
SCHEMBL1679460 0.86 FYN (0.58) FYNGRK5CSF1RDAPK1
SCHEMBL1679228 0.83 FYN (0.58) FYNGRK5CSF1RERN1BRAF
SCHEMBL1679707 0.82 FYN (0.63) FYNCSF1RERN1BRAF
SCHEMBL1679204 0.82 FYN (0.63) FYNCSF1RERN1BRAF
SCHEMBL12734489 0.81 FYN (0.64) FYNCSF1RBRAF
SCHEMBL1679065 0.81 FYN (0.64) FYNCSF1RERN1
SCHEMBL1679473 0.79 GRK5 (0.64) FYNGRK5DAPK1
SCHEMBL1679756 0.79 ROCK2 (0.55) FYNCSF1RERN1PTK2
SCHEMBL28141786 0.78 IARS1 (0.60) MAPK1

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 1665/4885GRK5 827/4885KISS1R 1582/4885

“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.