SCHEMBL3427630

SCHEMBL3427630

COc1cc2c(Cl)ncnc2cc1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.63
▸ PDE10A Q9Y233 2/20 0.51
▸ EGFR P00533 6/20 0.51
▸ ACHE P22303 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ TNFSF11 O14788 1/20 0.47
▸ PDGFRB P09619 2/20 0.46
▸ KDR P35968 7/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ RET P07949 3/20 0.44
▸ KIF5B P33176 3/20 0.44
▸ PDE1B Q01064 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ RIPK2 O43353 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44

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
SCHEMBL8777 1.00 ENPP1 (0.63) ENPP1PDE10AEGFRACHEBACE1
Hydrochloric Acid SCHEMBL9097 0.99 ENPP1 (0.62) ENPP1PDE10AEGFRACHEBACE1
SCHEMBL1999978 0.94 ENPP1 (0.54) ENPP1PDE10AEGFRACHEBACE1
SCHEMBL3766549 0.91 ENPP1 (0.52) ENPP1PDE10AEGFRACHEBACE1
SCHEMBL364049 0.86 ENPP1 (0.81) ENPP1EGFRKDRFLT1RET
SCHEMBL29359187 0.86 ENPP1 (0.81) ENPP1EGFRKDRFLT1RET
SCHEMBL3239272 0.86 ENPP1 (0.68) ENPP1EGFRPDGFRB
SCHEMBL17967514 0.85 ENPP1 (0.59) ENPP1PDE10AEGFRACHEBACE1
Hydrochloric Acid SCHEMBL3526531 0.85 ENPP1 (0.79) ENPP1EGFRPDGFRBKDRFLT1
SCHEMBL217338 0.84 PDE10A (0.52) ENPP1PDE10AEGFRACHEBACE1

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 35 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
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-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 — — US disclosed
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 — — US disclosed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 — — EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 — — EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 — — WO 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
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
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-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 (7 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 ENPP1 2070/4885PDE10A 204/4885EGFR 829/4885
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 ENPP1 2070/4885PDE10A 204/4885EGFR 829/4885
US-20200054644-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 ENPP1 2070/4885PDE10A 204/4885EGFR 829/4885
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 ENPP1 2070/4885PDE10A 204/4885EGFR 829/4885
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 ENPP1 2070/4885PDE10A 204/4885EGFR 829/4885
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 ENPP1 2070/4885PDE10A 204/4885EGFR 829/4885
US-10398703-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 ENPP1 2070/4885PDE10A 204/4885EGFR 829/4885

“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.

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