SCHEMBL29317831

SCHEMBL29317831

COc1cc(Oc2ccnc3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
BRAF P15056 1/20 0.52
MAPK14 Q16539 1/20 0.52
TNNI3K Q59H18 1/20 0.52
DDR2 Q16832 1/20 0.46
GAK O14976 2/20 0.44
RIPK2 O43353 1/20 0.44
STK16 O75716 1/20 0.44
EGFR P00533 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
BMP2K Q9NSY1 1/20 0.44
NLK Q9UBE8 1/20 0.44
IRAK3 Q9Y616 1/20 0.44
FGFR2 P21802 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
AXL P30530 1/20 0.41

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
SCHEMBL29317823 0.89 DDR2 (0.54) BRAFDDR2EGFRFGFR2PDGFRB
SCHEMBL7454814 0.81 EGFR (0.56) KDRBRAFDDR2EGFRMAPT
SCHEMBL22972145 0.79 DDR2 (0.54) KDRBRAFMAPK14TNNI3KDDR2
SCHEMBL30050285 0.79 DDR2 (0.54) KDRBRAFMAPK14TNNI3KDDR2
SCHEMBL22972009 0.78 DDR2 (0.56) KDRBRAFMAPK14TNNI3KDDR2
SCHEMBL29317833 0.77 DDR2 (0.44) BRAFDDR2EGFRFGFR2PDGFRB
SCHEMBL30049820 0.77 DDR2 (0.44) BRAFDDR2EGFRFGFR2PDGFRB
SCHEMBL30049538 0.76 DDR2 (0.79) KDRBRAFMAPK14TNNI3KDDR2
SCHEMBL29318681 0.76 DDR2 (0.54) KDRDDR2MAPTL3MBTL1PDGFRA
SCHEMBL29317838 0.76 DDR2 (0.79) KDRBRAFMAPK14TNNI3KDDR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 US disclosed
US-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 US disclosed
EP-4330233-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2024-03-06 EP disclosed
WO-2022228549-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2022-11-03 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-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, CPT1A, OAT KDR 4885/4885BRAF 3355/4885MAPK14 4493/4885

“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.