SCHEMBL2946030

SCHEMBL2946030

Clc1nc(SC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 1/20 0.31
▸ PTPN11 Q06124 1/20 0.30

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
SCHEMBL17595255 0.81 MAP3K5 (0.35) PTPN11
SCHEMBL130807 0.73 MAP3K5 (0.37) —
SCHEMBL183228 0.72 KMT2A (0.51) PAK1
SCHEMBL5439050 0.72 KMT2A (0.51) PAK1
SCHEMBL5442344 0.72 KMT2A (0.51) PAK1
SCHEMBL3024650 0.71 JAK3 (0.42) PAK1
SCHEMBL30716876 0.71 ADORA3 (0.39) PAK1PTPN11
SCHEMBL4064674 0.71 ADORA3 (0.39) PAK1PTPN11
SCHEMBL30872619 0.71 JAK3 (0.42) PAK1
SCHEMBL14183781 0.71 KMT2A (0.49) PAK1

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
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 — — US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 — — US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 — — US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 — — 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 PAK1 663/4885PTPN11 3571/4885

“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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