SCHEMBL6691249

SCHEMBL6691249

Clc1ccc(Oc2ccncn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.49
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HAO1 Q9UJM8 2/20 0.44
CYP19A1 P11511 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 2/20 0.41
BRAF P15056 1/20 0.41
TNNI3K Q59H18 1/20 0.41
SCN9A Q15858 3/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPK1 P28482 1/20 0.39
LTA4H P09960 2/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 1/20 0.37
GCK P35557 1/20 0.37

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
SCHEMBL169685 0.81 MEN1 (0.53) KDRHTTMEN1KMT2AMAPK14
SCHEMBL29415420 0.81 MEN1 (0.51) KDRHTTL3MBTL1MEN1KMT2A
SCHEMBL1895117 0.81 MEN1 (0.50) KDRMEN1KMT2AMAPK14BRAF
SCHEMBL12261855 0.80 KDR (0.39) KDRMEN1KMT2AMAPK14BRAF
SCHEMBL1136337 0.80 SMN1; SMN2 (0.50) KDRHTTL3MBTL1HAO1MAPK14
SCHEMBL11196649 0.79 HSP90AA1 (0.46) KDRCYP19A1MAPK14BRAFTNNI3K
SCHEMBL10033144 0.77 RAB9A (0.55) KDRHTTMEN1KMT2AMAPK14
SCHEMBL27445864 0.76 KDR (0.41) KDRHAO1MAPK14BRAFTNNI3K
SCHEMBL12050816 0.75 HSPB1 (0.55) HTTL3MBTL1MEN1KMT2AMAPK1
SCHEMBL28148104 0.75 LMNA (0.46) SCN9AMAPK1PTGS1PTGS2RAB9A

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
CN-101437512-A Glucokinase activators ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed
CN-101065364-A Novel pyrimidine derivatives and their use as PPAR-alpha modulators BAYER HEALTHCARE AG (DE) 2007-10-31 CN disclosed
US-6677339-B2 S-3-(4-(3,5-DICHLOROPYRID-4-YLCARBOXAMIDO)PHENYL)-2-(4,6-DIMET HOXY-1,3,5-TRIAZIN-2-YLAMINO)PROPANOIC ACID FOR EXAMPLE; INHIBIT BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS, FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2004-01-13 US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 US 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-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 KDR 990/4885HTT 4469/4885L3MBTL1 386/4885

“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.