SCHEMBL2199977

SCHEMBL2199977

COc1ccc(Nc2nnc(Cl)c3occc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.46
AURKA O14965 1/20 0.46
MAPT P10636 7/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT4 P35916 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
SCHEMBL12233349 0.84 KDR (0.47) KDRAURKAPDGFRBKITFLT4
SCHEMBL3759288 0.77 KDR (0.63) KDRMAPTLMNARAB9AGAA
SCHEMBL4037752 0.76 KDR (0.58) KDRPDGFRBKITFLT4MAP3K20
SCHEMBL2202354 0.74 KDR (0.56) KDRAURKAMAPTLMNARAB9A
SCHEMBL12510035 0.73 KDR (0.47) KDRAURKAMAPTRAB9AGAA
SCHEMBL12233317 0.73 AURKA (0.47) KDRAURKAMAPTPDGFRBKIT
SCHEMBL12257094 0.70 ENPP3 (0.43) KDRMAPTLMNARAB9AGAA
SCHEMBL3606506 0.68 GOT1 (0.32)
SCHEMBL3759465 0.67 KDR (0.64) KDRMAPTLMNARAB9AGAA
SCHEMBL11823559 0.65 MAPT (0.50) MAPTLMNARAB9AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2011-10-27 US disclosed
US-7977333-B2 Hyperpermeability; diabetic retinopathy, ischemic retinal-vein occlusion, prematurity, age-related macular degeneration BAYER HEALTHCARE LLC (US) 2011-07-12 US disclosed
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
EP-1228063-B1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORP (US) 2009-02-11 EP disclosed
US-20040092740-A1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION 2004-05-13 US disclosed
US-6689883-B1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION 2004-02-10 US disclosed
EP-1228063-A2 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-08-07 EP disclosed
WO-2001023375-A2 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-04-05 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 (3 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-20040092740-A1 Substituted pyridines and pyridazines with angiogenesis inhibiting activity VEGFA, PGF, FLT1 KDR 6/4885AURKA 1389/4885MAPT 4297/4885
US-20110263597-A1 SUBSTITUTED PYRIDINES AND PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY VEGFA, PGF, FLT1 KDR 6/4885AURKA 1549/4885MAPT 4617/4885
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB KDR 529/4885AURKA 2136/4885MAPT 4179/4885

“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.