SCHEMBL1679573

SCHEMBL1679573

COc1cc(-c2cncc(-c3cccc(C(=O)N4CCOCC4)c3)n2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
RAB9A P51151 1/20 0.59
ERN1 O75460 3/20 0.58
HPGD P15428 2/20 0.55
JAK2 O60674 3/20 0.53
JAK1 P23458 2/20 0.53
TYK2 P29597 2/20 0.53
JAK3 P52333 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FYN P06241 1/20 0.53
PLK4 O00444 1/20 0.48
MAP4K4 O95819 1/20 0.48
ROS1 P08922 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
MARK3 P27448 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL1679061 0.91 FYN (0.56) KMT2AMEN1RAB9AERN1HPGD
SCHEMBL1679545 0.88 FYN (0.53) ERN1FYNATR
SCHEMBL12734489 0.81 FYN (0.64) FYNPOLBGAA
SCHEMBL1679065 0.81 FYN (0.64) RAB9AERN1HPGDFYNGLA
SCHEMBL1679204 0.80 FYN (0.63) ERN1FYNMAPT
SCHEMBL1679707 0.80 FYN (0.63) ERN1FYNATR
SCHEMBL2931412 0.79 CHEK1 (0.62) KMT2AMEN1RAB9AERN1HPGD
SCHEMBL2927014 0.77 KCNH2 (0.61) HPGDJAK2JAK1TYK2JAK3
SCHEMBL2933714 0.76 HPGD (0.55) ERN1HPGDALDH1A1POLBATR
SCHEMBL1679228 0.76 FYN (0.58) ERN1FYN

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 KMT2A 159/4885MEN1 2764/4885RAB9A 2343/4885

“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.