SCHEMBL535665

SCHEMBL535665

CC(=O)Oc1ccc2ncncc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.64
ALDH1A1 P00352 2/20 0.60
GLA P06280 2/20 0.60
F2 P00734 1/20 0.60
HPGD P15428 1/20 0.60
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CA2 P00918 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
FLT3 P36888 1/20 0.43
AR P10275 1/20 0.43
FGFR4 P22455 1/20 0.42
KMT2A Q03164 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41

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
Hydrochloric Acid SCHEMBL30406782 0.98 EGFR (0.62) EGFRALDH1A1GLAF2HPGD
Hydrochloric Acid SCHEMBL27748921 0.98 EGFR (0.62) EGFRALDH1A1GLAF2HPGD
SCHEMBL27881436 0.98 EGFR (0.62) EGFRALDH1A1GLAF2HPGD
SCHEMBL5144896 0.92 EGFR (0.55) EGFRALDH1A1GLAF2HPGD
SCHEMBL3942891 0.89 EGFR (0.61) EGFRALDH1A1GLAF2HPGD
SCHEMBL27630991 0.88 EGFR (0.64) EGFRALDH1A1GLAF2HPGD
SCHEMBL13480994 0.84 EGFR (0.59) EGFRALDH1A1GLAF2HPGD
SCHEMBL27685719 0.82 EGFR (0.56) EGFRALDH1A1GLAF2HPGD
SCHEMBL30648200 0.80 KMT2A (0.59) EGFRALDH1A1CA2CA12CA9
SCHEMBL27651503 0.80 KMT2A (0.59) EGFRALDH1A1CA2CA12CA9

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US claimed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP claimed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP claimed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US claimed
JP-2007504276-A 2007-03-01 JP claimed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US claimed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP claimed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 WO claimed
WO-2025063725-A1 NOVEL SKELETAL DERIVATIVE EFFECTIVE FOR HER2 MUTATION, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 한미약품 주식회사 2025-03-27 WO disclosed
CN-104744446-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-06-25 CN disclosed
CN-104098551-B Substituted quinazoline analog derivative as Ou Ruola kinase inhibitor 广东东阳光药业有限公司 2019-03-22 CN disclosed
CN-108341813-A Substituted 1- (isoxazole -3- bases) -3- (the fluoro- 4- phenyl of 3-) urea derivative and its preparation method and application 四川大学 2018-07-31 CN disclosed
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
CN-102718775-B As the Macrocyclic quinazoline derivatives of antiproliferative JANSSEN PHARMACEUTICA N.V. (BE) 2016-02-17 CN disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
CN-101535279-A Quinazoline based EGFR inhibitors containing a zinc binding moiety CURIS INC (US) 2009-09-16 CN disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 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 (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-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 EGFR 684/4885ALDH1A1 2648/4885GLA 4507/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 EGFR 1789/4885ALDH1A1 2784/4885GLA 4418/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1503/4885ALDH1A1 2932/4885GLA 4517/4885

“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.