SCHEMBL14723068

SCHEMBL14723068

FC(F)(F)c1cc(Nc2cc(C3CC3)[nH]n2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 9/20 0.49
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ NEK1 Q96PY6 1/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.43
▸ NTRK1 P04629 1/20 0.42

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
SCHEMBL14722731 0.85 IGF1R (0.50) IGF1RCCNA2CDK2CCNA1NEK1
SCHEMBL2319952 0.82 PIK3C3 (0.55) IGF1RCCNA2CDK2CCNA1NEK1
SCHEMBL5816922 0.81 PIK3C3 (0.54) IGF1RCCNA2CDK2CCNA1NEK1
SCHEMBL3853457 0.81 IGF1R (0.53) IGF1RCCNA2CDK2CCNA1NEK1
SCHEMBL2321718 0.80 IGF1R (0.68) IGF1R
SCHEMBL24350501 0.79 PIK3C3 (0.54) IGF1RPIK3C3NTRK1
SCHEMBL22917390 0.77 PIK3C3 (0.50) IGF1RNEK1PIK3C3
SCHEMBL29539700 0.77 PIK3C3 (0.50) IGF1RNEK1PIK3C3
SCHEMBL3854177 0.77 IGF1R (0.52) IGF1RCCNA2CDK2CCNA1NTRK1
SCHEMBL5770155 0.77 IGF1R (0.49) IGF1RNEK1PIK3C3

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
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 — — EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 — — US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 — — US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 — — 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 IGF1R 584/4885CCNA2 357/4885CDK2 32/4885

“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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