SCHEMBL298221

SCHEMBL298221

COc1cc2c(=O)[nH]cnc2cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.51
SRC P12931 1/20 0.50
CHEK1 O14757 2/20 0.47
PIM1 P11309 2/20 0.47
RPS6KA3 P51812 1/20 0.47
SLC2A1 P11166 1/20 0.47
IP6K1 Q92551 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
AKT1 P31749 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
PDPK1 O15530 1/20 0.41
CA12 O43570 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 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
Acetic Acid SCHEMBL28399538 0.94 SLC2A1 (0.49) PARP1SRCCHEK1PIM1RPS6KA3
SCHEMBL641721 0.94 SRC (0.54) PARP1SRCCHEK1PIM1RPS6KA3
Hydrochloric Acid SCHEMBL27988354 0.92 SRC (0.52) PARP1SRCCHEK1PIM1RPS6KA3
SCHEMBL4018251 0.90 PARP1 (0.48) PARP1SRCCHEK1PIM1RPS6KA3
Acetic Acid SCHEMBL29153417 0.88 SRC (0.49) PARP1SRCCHEK1PIM1RPS6KA3
SCHEMBL4133337 0.87 SRC (0.48) PARP1SRCCHEK1PIM1RPS6KA3
SCHEMBL8917 0.87 SRC (0.63) PARP1SRCCHEK1PIM1RPS6KA3
SCHEMBL4490582 0.85 PARP1 (0.49) PARP1CHEK1PIM1RPS6KA3SLC2A1
SCHEMBL3664757 0.84 PARP1 (0.48) PARP1SRCCHEK1PIM1RPS6KA3
SCHEMBL27576840 0.84 SLC2A1 (0.50) PARP1SRCCHEK1PIM1RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956138-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS INC (US) 2022-06-22 EP disclosed
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF OXFORD FINANCE LLC 2021-12-23 US disclosed
US-10966987-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
US-20200054644-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2020-02-20 US disclosed
US-10398703-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-20190201408-A1 6,7-DIALKOXY QUINAZOLINE DERIVATIVES AND METHODS OF TREATING DRUG RESISTANT AND OTHER TUMORS NATCO PHARMA LIMITED (IN) 2019-07-04 US disclosed
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-05-17 US disclosed
US-9877970-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9827248-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
WO-2004108711-A1 PYRAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed
WO-2004098604-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2004-11-18 WO disclosed
EP-1474420-A1 QUINAZOLINE COMPOUNDS Astrazeneca AB (SE) 2004-11-10 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
WO-2004081000-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-23 WO disclosed
WO-2004056812-A1 4- (PYRIDIN-4-YLAMINO) -QUINAZOLINE DERIVATIVES AS ANTI-TUMOR AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004056801-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 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 (6 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-10966987-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 PARP1 4264/4885SRC 4259/4885CHEK1 4738/4885
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 PARP1 4264/4885SRC 4259/4885CHEK1 4738/4885
US-20200054644-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 PARP1 4264/4885SRC 4259/4885CHEK1 4738/4885
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 PARP1 4264/4885SRC 4259/4885CHEK1 4738/4885
US-10398703-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 PARP1 4264/4885SRC 4259/4885CHEK1 4738/4885
US-20190201408-A1 6,7-DIALKOXY QUINAZOLINE DERIVATIVES AND METHODS OF TREATING DRUG RESISTANT AND OTHER TUMORS ERBB2, EGFR, STK17A PARP1 3284/4885SRC 138/4885CHEK1 164/4885

“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.