SCHEMBL13529060

SCHEMBL13529060

COc1cc2ncnc(Nc3ccccc3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.84
KDR P35968 7/20 0.83
EGFR P00533 9/20 0.80
AURKA O14965 5/20 0.80
AURKB Q96GD4 4/20 0.80
LCK P06239 2/20 0.80
RET P07949 2/20 0.80
MET P08581 2/20 0.80
MAPT P10636 2/20 0.80
LTK P29376 2/20 0.80
TNK2 Q07912 2/20 0.80
MAP4K5 Q9Y4K4 2/20 0.80
ROCK2 O75116 1/20 0.80
ALDH1A1 P00352 1/20 0.80
FYN P06241 1/20 0.80
PDGFRA P16234 1/20 0.80
TTK P33981 1/20 0.80
MAP2K2 P36507 1/20 0.80
MAP2K1 Q02750 1/20 0.80
BTK Q06187 1/20 0.80

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
SCHEMBL3531151 0.92 SRC (0.86) SRCKDREGFRAURKAAURKB
SCHEMBL28424819 0.91 SRC (0.85) SRCKDREGFRAURKAAURKB
SCHEMBL28350517 0.90 SRC (0.77) SRCKDREGFRAURKAAURKB
SCHEMBL6906285 0.90 KDR (0.82) SRCKDREGFRLCKRET
SCHEMBL28354308 0.90 SRC (0.77) SRCKDREGFRAURKAAURKB
Hydrochloric Acid SCHEMBL30891785 0.90 EGFR (0.84) SRCKDREGFRAURKAAURKB
SCHEMBL1155807 0.89 SRC (0.81) SRCKDREGFRAURKAAURKB
SCHEMBL29377224 0.89 EGFR (1.00) SRCKDREGFRAURKAAURKB
SCHEMBL597105 0.89 EGFR (1.00) SRCKDREGFRAURKAAURKB
Hydrochloric Acid SCHEMBL3535974 0.89 EGFR (0.80) SRCKDREGFRAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates GILEAD SCIENCES, INC. 2007-12-06 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 (3 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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB SRC 503/4885KDR 860/4885EGFR 802/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN SRC 823/4885KDR 1628/4885EGFR 493/4885
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates PIK3CA, PNKP, PLK1 SRC 235/4885KDR 593/4885EGFR 498/4885

“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.