SCHEMBL6181106

SCHEMBL6181106

O=C(Cc1ccnc(-c2ccccc2)c1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.48
LOXL2 Q9Y4K0 2/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
NAPRT Q6XQN6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.42
GRM5 P41594 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KMO O15229 1/20 0.42
GPR52 Q9Y2T5 1/20 0.42
ASIC3 Q9UHC3 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 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
SCHEMBL6182297 0.89 TGFBR1 (0.44) WNT3ALOXL2KMT2AL3MBTL1CES1
SCHEMBL6182682 0.89 MAP4K4 (0.47) LOXL2KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL6181580 0.89 WNT3A (0.45) WNT3ALOXL2KMT2ACES1KDM4E
SCHEMBL6179073 0.88 TLR7 (0.47) WNT3ALOXL2KMT2ALMNASMN1; SMN2
SCHEMBL6180198 0.86 TGFBR1 (0.47) WNT3ALOXL2KMT2ALMNASMN1; SMN2
SCHEMBL6184116 0.86 TRPV1 (0.48) WNT3ALOXL2KMT2ACES1CTNNB1
SCHEMBL6180356 0.86 RAB9A (0.48) KMT2ALMNAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL6198811 0.85 CHRNA7 (0.43) WNT3AKMT2ACES2CES1CTNNB1
SCHEMBL6703618 0.85 RAB9A (0.51) KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL6180999 0.83 TLR7 (0.49) WNT3AKMT2ASMN1; SMN2KDM4EKDM4C

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
EP-1355903-B1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION SMITHKLINE BEECHAM CORP (US) 2005-03-16 EP disclosed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US disclosed
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 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-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 WNT3A 169/4885LOXL2 823/4885KMT2A 3917/4885

“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.