SCHEMBL19729005

SCHEMBL19729005

Fc1ccc(Nc2ccnc3ccc(-c4cnc5[nH]ccc5c4)cc23)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.61
PIK3CA P42336 5/20 0.54
MAPKAPK2 P49137 5/20 0.48
EGFR P00533 2/20 0.45
TNIK Q9UKE5 1/20 0.44
BTK Q06187 3/20 0.44
ITK Q08881 3/20 0.44
MTOR P42345 2/20 0.44
PTK6 Q13882 1/20 0.44
PIK3CD O00329 1/20 0.44
NUDT1 P36639 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB4 Q15303 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL19729002 0.86 FADS1 (0.55) CD38PIK3CAMAPKAPK2MTORPTK6
SCHEMBL17858789 0.84 EGFR (0.61) CD38PIK3CAEGFRPIK3CDERBB2
SCHEMBL29667010 0.84 EGFR (0.61) CD38PIK3CAEGFRPIK3CDERBB2
SCHEMBL19729011 0.84 MAPKAPK2 (0.47) CD38PIK3CAMAPKAPK2BTKITK
SCHEMBL19729003 0.82 CD38 (0.69) CD38PIK3CAMAPKAPK2EGFRPTK6
SCHEMBL19729032 0.81 CD38 (0.64) CD38PIK3CAMAPKAPK2EGFRPTK6
SCHEMBL19729008 0.80 CD38 (0.65) CD38MAPKAPK2EGFRPTK6ERBB2
SCHEMBL14365353 0.79 RIPK1 (0.57) PIK3CATNIKBTKITKPIK3CD
SCHEMBL4740968 0.78 CD38 (0.65) CD38MAPKAPK2EGFRPTK6
SCHEMBL19729035 0.78 CD38 (0.66) CD38MAPKAPK2EGFRPTK6ERBB2

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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 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-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 CD38 4006/4885PIK3CA 6/4885MAPKAPK2 156/4885

“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.