SCHEMBL297611

SCHEMBL297611

COc1cc2c(=O)[nH]cnc2cc1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.52
TNFSF11 O14788 1/20 0.50
SLC2A1 P11166 1/20 0.49
ALK Q9UM73 1/20 0.44
PARP1 P09874 7/20 0.43
CHEK1 O14757 2/20 0.43
PIM1 P11309 2/20 0.43
RPS6KA3 P51812 1/20 0.43
EGFR P00533 1/20 0.43
PDE10A Q9Y233 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IP6K1 Q92551 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AKT1 P31749 1/20 0.40
FLT3 P36888 1/20 0.40
PIM3 Q86V86 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8960 1.00 SRC (0.52) SRCTNFSF11SLC2A1ALKPARP1
SCHEMBL1998529 0.94 SLC2A1 (0.54) SRCTNFSF11SLC2A1PARP1CHEK1
SCHEMBL4018984 0.91 SLC2A1 (0.46) SRCTNFSF11SLC2A1ALKPARP1
SCHEMBL3725738 0.91 SLC2A1 (0.46) SRCTNFSF11SLC2A1ALKPARP1
SCHEMBL6253346 0.89 SRC (0.52) SRCSLC2A1ALKPARP1CHEK1
SCHEMBL8917 0.88 SRC (0.63) SRCSLC2A1PARP1CHEK1PIM1
SCHEMBL3231833 0.86 SLC2A1 (0.47) SRCSLC2A1PARP1CHEK1PIM1
SCHEMBL17967511 0.85 SRC (0.49) SRCSLC2A1ALKPARP1CHEK1
SCHEMBL27576840 0.84 SLC2A1 (0.50) SRCSLC2A1PARP1CHEK1PIM1
SCHEMBL13090425 0.84 SLC2A1 (0.50) SLC2A1PARP1CHEK1PIM1RPS6KA3

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 106 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
CN-107674059-B Benzaheteroaromatic ring compound and preparation method and application thereof 中国药科大学 2020-04-14 CN 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-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
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
US-6184225-B1 ENDOTHELIAL GROWTH FACTOR INHIBITORS, ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2001-02-06 US disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 WO disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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 SRC 4259/4885TNFSF11 4206/4885SLC2A1 700/4885
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SRC 4259/4885TNFSF11 4206/4885SLC2A1 700/4885
US-20200054644-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SRC 4259/4885TNFSF11 4206/4885SLC2A1 700/4885
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SRC 4259/4885TNFSF11 4206/4885SLC2A1 700/4885
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SRC 4259/4885TNFSF11 4206/4885SLC2A1 700/4885
US-10398703-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 SRC 4259/4885TNFSF11 4206/4885SLC2A1 700/4885

“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.