SCHEMBL1679097

SCHEMBL1679097

COc1ccccc1-c1nc(Br)cnc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
ATR Q13535 2/20 0.50
ADORA2A P29274 3/20 0.49
ADORA1 P30542 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
JAK2 O60674 1/20 0.43
HSP90AA1 P07900 2/20 0.43
LRRK2 Q5S007 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL29858095 0.78 FYN (0.49) ALDH1A1JAK2HSP90AA1CYP1A2CYP3A4
SCHEMBL16974099 0.78 FYN (0.49) ALDH1A1JAK2HSP90AA1CYP1A2CYP3A4
SCHEMBL2702030 0.76 USP7 (0.43) ALDH1A1ATRSMN1; SMN2HPGDDPP4
SCHEMBL20328918 0.75 HSD17B10 (0.44) ALDH1A1ADORA2ASMN1; SMN2HPGDKDM4E
SCHEMBL4335673 0.74 DHFR (0.56) ALDH1A1ADORA2AADORA1GAAJAK2
SCHEMBL6822373 0.74 NEK2 (0.49) ALDH1A1ADORA1KDM4EHSD17B10PDGFRB
SCHEMBL2713280 0.74 ALDH1A1 (0.46) ALDH1A1ADORA2AADORA1SMN1; SMN2HPGD
SCHEMBL27808854 0.74 ALDH1A1 (0.46) ALDH1A1ADORA2AADORA1SMN1; SMN2HPGD
SCHEMBL27881848 0.73 ADORA2A (0.57) ALDH1A1ADORA2AADORA1SMN1; SMN2HPGD
SCHEMBL7776292 0.73 ADORA2A (0.57) ALDH1A1ADORA2AADORA1SMN1; SMN2HPGD

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 6 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
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 ALDH1A1 4032/4885ATR 2516/4885ADORA2A 2477/4885

“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.