SCHEMBL13524614

SCHEMBL13524614

CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.87
KDR P35968 2/20 0.85
FBP1 P09467 2/20 0.85
AURKA O14965 1/20 0.85
ERBB2 P04626 1/20 0.85
INSR P06213 1/20 0.85
PDGFRB P09619 1/20 0.85
FLT4 P35916 1/20 0.85
CLK1 P49759 1/20 0.85
EPHB4 P54760 1/20 0.85
TEK Q02763 1/20 0.85
AURKB Q96GD4 1/20 0.85

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
SCHEMBL30520472 1.00 EGFR (0.87) EGFRKDRFBP1AURKAERBB2
SCHEMBL14092460 0.95 EGFR (0.92) EGFRKDRFBP1AURKAERBB2
SCHEMBL13529196 0.94 EGFR (0.98) EGFRKDRFBP1AURKAERBB2
SCHEMBL30207668 0.93 EGFR (0.85) EGFRKDRFBP1AURKAERBB2
SCHEMBL28520911 0.93 EGFR (0.85) EGFRKDRFBP1AURKAERBB2
SCHEMBL31491085 0.93 EGFR (0.85) EGFRKDRFBP1AURKAERBB2
SCHEMBL5412843 0.93 EGFR (0.84) EGFRKDRFBP1AURKAERBB2
SCHEMBL14863005 0.93 EGFR (0.84) EGFRKDRFBP1AURKAERBB2
SCHEMBL28907231 0.93 EGFR (0.84) EGFRKDRFBP1AURKAERBB2
SCHEMBL14964773 0.93 EGFR (0.85) EGFRKDRFBP1AURKAERBB2

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
US-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-23 US disclosed
WO-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed
US-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 US disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 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 (5 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-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF CD74, CD2BP2, SERPINB1 EGFR 3898/4885KDR 3287/4885FBP1 2209/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB EGFR 802/4885KDR 860/4885FBP1 522/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN EGFR 493/4885KDR 1628/4885FBP1 132/4885
US-20070281907-A1 Kinase Inhibitor Phosphonate Conjugates PIK3CA, PNKP, PLK1 EGFR 498/4885KDR 593/4885FBP1 589/4885
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF MAP3K21, MAP3K15, MAP3K14 EGFR 225/4885KDR 2894/4885FBP1 2926/4885

“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.