SCHEMBL6997227

SCHEMBL6997227

c1ccc(COc2cccc(-c3n[nH]c4cncnc34)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.50
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PRKDC P78527 1/20 0.47
IGF1R P08069 1/20 0.44
CYP3A4 P08684 2/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ARAF P10398 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
FLT3 P36888 1/20 0.43
KCNH2 Q12809 1/20 0.43
ERBB4 Q15303 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 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
SCHEMBL1270888 0.79 PIM1 (0.54) TTKFLT3ALDH1A1HPGDSMN1; SMN2
SCHEMBL28486193 0.76 CNR1 (0.44) CYP3A4CDC7MAPK1ALDH1A1HPGD
SCHEMBL5386440 0.72 TTK (0.72) TTKFLT3NTRK1CDC7MAPT
SCHEMBL21048477 0.72 PIK3CD (0.67) TTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL379281 0.72 MAOB (0.67) MAOB
SCHEMBL570187 0.71 TRPA1 (0.51) TTKNTRK1WNT1CDC7SMN1; SMN2
SCHEMBL6997886 0.70 ALDH1A1 (0.46) TTKCYP3A4WNT1MAPK1ALDH1A1
SCHEMBL2137838 0.70 MRGPRX4 (0.69) MAOB
SCHEMBL6479373 0.70 JAK2 (0.63) TTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4059211 0.70 TTK (0.50) TTKPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US disclosed
EP-1140938-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF Princeton University (US) 2001-10-10 EP disclosed
WO-2000042042-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF PRINCETON UNIVERSITY (US) 2000-07-20 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-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC TTK 34/4885PIK3CD 514/4885PIK3CA 550/4885

“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.