SCHEMBL6291870

SCHEMBL6291870

N#Cc1cccc(Cn2cc3cc(Br)ncc3cc2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SDHB P21912 1/20 0.45
CREBBP Q92793 1/20 0.43
ADORA2A P29274 2/20 0.42
GRIN1 Q05586 4/20 0.41
GRIN2B Q13224 4/20 0.41
YTHDC1 Q96MU7 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ROCK2 O75116 1/20 0.40
ADRA1D P25100 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
P2RX7 Q99572 1/20 0.39
CLPP Q16740 1/20 0.39
QPCT Q16769 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6288671 0.81 L3MBTL1 (0.46) L3MBTL1SDHBCREBBPADORA2AGRIN1
SCHEMBL6243270 0.79 CYP19A1 (0.44) L3MBTL1CREBBPADORA2AYTHDC1CYP19A1
SCHEMBL6288453 0.73 L3MBTL1 (0.49) L3MBTL1SDHBCREBBPADORA2AADRA1D
SCHEMBL25853598 0.73 L3MBTL1 (0.53) L3MBTL1SDHBCREBBPADORA2ACYP19A1
SCHEMBL10080865 0.70 L3MBTL1 (0.56) L3MBTL1SDHBCREBBPADORA2AGRIN1
SCHEMBL7359634 0.69 L3MBTL1 (0.57) L3MBTL1CREBBPADORA2AYTHDC1CYP19A1
SCHEMBL6288640 0.68 MAPK10 (0.38) P2RX7
SCHEMBL434883 0.68 L3MBTL1 (0.53) L3MBTL1CREBBPADORA2ACYP19A1CYP11B1
SCHEMBL27383589 0.68 IDH1 (0.54) L3MBTL1CREBBPADORA2ACYP19A1CYP11B1
SCHEMBL15504995 0.68 L3MBTL1 (0.56) L3MBTL1SDHBCREBBPADORA2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974822-B2 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-13 US disclosed
US-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US disclosed
WO-2004014378-A1 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038959-A1 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors MMP1, MMP9, MMP3 L3MBTL1 3891/4885SDHB 3814/4885CREBBP 4303/4885

“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.