SCHEMBL17190776

SCHEMBL17190776

CCN1CCN(Cc2ccc(-c3cnc4c(c3)c(-c3ccc5[nH]ccc5c3)cn4S(=O)(=O)c3ccc(C)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 12/20 0.53
▸ TNIK Q9UKE5 4/20 0.53
▸ IKBKB O14920 2/20 0.53
▸ CHUK O15111 2/20 0.53
▸ ABL1 P00519 2/20 0.53
▸ INSR P06213 2/20 0.53
▸ CDK2 P24941 2/20 0.53
▸ FLT3 P36888 2/20 0.53
▸ SGK1 O00141 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ PRKAB2 O43741 1/20 0.53
▸ ROCK2 O75116 1/20 0.53
▸ NTRK1 P04629 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ IGF1R P08069 1/20 0.53
▸ MET P08581 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ FLT1 P17948 1/20 0.53

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
SCHEMBL15165531 0.93 MAP3K11 (0.52) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL7514195 0.92 MAP3K11 (0.60) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL15171426 0.91 MAP3K11 (0.62) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL30280416 0.91 MAP3K11 (0.50) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL31396533 0.90 MAP3K11 (0.49) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL31396583 0.89 PTPN11 (0.48) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL31396538 0.88 MAP3K11 (0.46) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL12065811 0.88 MAP3K11 (0.49) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL7515012 0.87 MAP3K11 (0.55) MAP3K11TNIKIKBKBCHUKABL1
SCHEMBL15165537 0.85 MAP3K11 (0.51) MAP3K11TNIKIKBKBCHUKABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 — — 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-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 MAP3K11 25/4885TNIK 81/4885IKBKB 285/4885

“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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