SCHEMBL18356522

SCHEMBL18356522

Cc1ccc(-c2cc(Cl)cnc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 10/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ MINK1 Q8N4C8 1/20 0.53
▸ TNIK Q9UKE5 1/20 0.53
▸ LRRK2 Q5S007 5/20 0.51
▸ USP7 Q93009 2/20 0.48
▸ FYN P06241 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2A6 P11509 1/20 0.45

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
SCHEMBL12518227 0.83 CYP2A6 (0.62) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL623725 0.82 USP7 (0.69) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL27961301 0.81 MAP4K4 (0.70) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL29973626 0.81 MAP4K4 (0.70) MAP4K4CYP1A2KCNH2MINK1TNIK
SCHEMBL6069533 0.79 MAP4K4 (0.64) MAP4K4KCNH2MINK1TNIKFYN
SCHEMBL29857960 0.79 MAP4K4 (0.54) MAP4K4LRRK2USP7FYNMEN1
SCHEMBL13968119 0.79 MAP4K4 (0.54) MAP4K4LRRK2USP7FYNMEN1
SCHEMBL4580922 0.79 MAP4K4 (0.54) MAP4K4LRRK2USP7FYNMEN1
SCHEMBL1091006 0.77 MAP4K4 (0.76) MAP4K4FYN
SCHEMBL18372966 0.77 RAB9A (0.60) MAP4K4CYP1A2KCNH2MINK1TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682941-B2 Substituted biphenyl analogues as dual inhibitors of aromatase and sulfatase ESTRYX PHARMA LIMITED (GB) 2017-06-20 — — US disclosed
US-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2017-01-05 — — 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-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE CYP19A1, SULT2A1, STS MAP4K4 3648/4885CYP1A2 22/4885KCNH2 4667/4885

“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.

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