SCHEMBL4066643

SCHEMBL4066643

Clc1nccc(Nc2cc(C3CC3)n[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.42
NEK1 Q96PY6 1/20 0.40
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
PAK4 O96013 3/20 0.38
PAK1 Q13153 3/20 0.38
PIK3C3 Q8NEB9 1/20 0.36

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
SCHEMBL3931336 0.95 IGF1R (0.40) IGF1RNEK1FGFR1KDRPAK4
SCHEMBL28800603 0.85 NEK1 (0.39) IGF1RNEK1FGFR1KDRPAK4
SCHEMBL12783842 0.81 ITK (0.54) IGF1RNEK1
SCHEMBL2205494 0.80 PIK3C3 (0.35) IGF1RPAK4PIK3C3
SCHEMBL12785351 0.80 NEK1 (0.66) IGF1RNEK1FGFR1
SCHEMBL11344193 0.80 IGF1R (0.70) IGF1RNEK1
SCHEMBL2158052 0.79 NEK1 (0.53) IGF1RNEK1PAK4PAK1
SCHEMBL14731974 0.79 NISCH (0.36) IGF1RNEK1PAK4
SCHEMBL14723389 0.79 NISCH (0.36) IGF1RNEK1PAK4
SCHEMBL14731973 0.79 NISCH (0.36) IGF1RNEK1PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794605-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP disclosed
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US disclosed
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
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US disclosed
WO-2013092940-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 WO disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
CN-1905884-A Pyrazole derivatives as inhibitors of receptor tyrosyne kinases ASTRAZENECA AB (SE) 2007-01-31 CN 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-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, PAK3 IGF1R 505/4885NEK1 188/4885FGFR1 914/4885
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 IGF1R 584/4885NEK1 94/4885FGFR1 921/4885

“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.