SCHEMBL12887709

SCHEMBL12887709

COc1cc(N2CCCCC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)NC(C)C)c(C(F)(F)F)cn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 5/20 0.58
▸ PTK2 Q05397 4/20 0.58
▸ MAPK9 P45984 4/20 0.58
▸ ZAP70 P43403 4/20 0.52
▸ ALK Q9UM73 6/20 0.48
▸ IGF1R P08069 2/20 0.48
▸ PTK2B Q14289 2/20 0.48
▸ TTK P33981 2/20 0.48
▸ GAK O14976 1/20 0.48
▸ INSR P06213 1/20 0.48
▸ INSRR P14616 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ LTK P29376 1/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ TNK2 Q07912 1/20 0.48
▸ TNK1 Q13470 1/20 0.48
▸ EGFR P00533 1/20 0.47
▸ ULK1 O75385 2/20 0.44

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
SCHEMBL1232263 0.93 MAPK10 (0.68) MAPK10PTK2MAPK9ZAP70ALK
SCHEMBL1232244 0.84 MAPK10 (0.73) MAPK10PTK2MAPK9ZAP70ALK
SCHEMBL12887661 0.82 MAPK10 (0.60) MAPK10PTK2MAPK9ALKTTK
SCHEMBL15964228 0.81 MAPK10 (0.85) MAPK10PTK2MAPK9ALKIGF1R
SCHEMBL12887599 0.80 ULK1 (0.55) MAPK10PTK2MAPK9ZAP70ALK
SCHEMBL12887666 0.79 MAPK10 (0.59) MAPK10PTK2MAPK9ALKTTK
SCHEMBL12887007 0.79 MAPK10 (0.57) MAPK10PTK2MAPK9ALKIGF1R
SCHEMBL12887672 0.76 MAPK10 (0.72) MAPK10PTK2MAPK9ALKIGF1R
SCHEMBL12887696 0.76 MAPK10 (0.72) MAPK10PTK2MAPK9ZAP70ALK
SCHEMBL18559526 0.76 MAPK10 (0.76) MAPK10PTK2MAPK9ALKTTK

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-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 — — US disclosed
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 — — US disclosed
US-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-24 — — 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 (2 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-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 MAPK10 590/4885PTK2 1/4885MAPK9 239/4885
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 MAPK10 590/4885PTK2 1/4885MAPK9 239/4885

“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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