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SCHEMBL3766549

SCHEMBL3766549

[2H]C([2H])([2H])Oc1cc2ncnc(Cl)c2cc1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.52
▸ EGFR P00533 5/20 0.43
▸ PDE10A Q9Y233 2/20 0.42
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ PDGFRB P09619 3/20 0.39
▸ PDGFRA P16234 2/20 0.38
▸ TNFSF11 O14788 1/20 0.38
▸ KDR P35968 6/20 0.38
▸ FLT1 P17948 2/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KIF5B P33176 1/20 0.37
▸ EPHB2 P29323 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3427630 0.91 ENPP1 (0.63) ENPP1EGFRPDE10AACHEBACE1
SCHEMBL8777 0.91 ENPP1 (0.63) ENPP1EGFRPDE10AACHEBACE1
SCHEMBL1999978 0.90 ENPP1 (0.54) ENPP1EGFRPDE10AACHEBACE1
Hydrochloric Acid SCHEMBL9097 0.89 ENPP1 (0.62) ENPP1EGFRPDE10AACHEBACE1
SCHEMBL3239272 0.83 ENPP1 (0.68) ENPP1EGFRPDGFRB
SCHEMBL8212200 0.81 ENPP1 (0.47) ENPP1EGFRPDE10AACHEBACE1
SCHEMBL4020394 0.79 ENPP1 (0.51) ENPP1EGFRKDRFLT1RET
SCHEMBL10290852 0.78 EGFR (0.48) ENPP1EGFRPDGFRBKDRKDM4E
SCHEMBL4224921 0.78 EGFR (0.48) ENPP1EGFRPDGFRBKDRKDM4E
SCHEMBL4235751 0.78 EPHB4 (0.47) ENPP1EGFRKDRRETEPHB2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133137-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS, INC. (US) 2015-09-15 — — US disclosed
EP-2242493-B1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC (US) 2013-06-05 — — EP disclosed
US-20110059046-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2011-03-10 — — US disclosed
US-7855204-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS INC. (US) 2010-12-21 — — US disclosed
US-7855204-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS INC. (US) 2010-12-21 — — US disclosed
US-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-10 — — US disclosed
US-20090185999-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-23 — — US disclosed
US-20090185999-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-23 — — 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 (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-20090185999-A1 DERIVATIVES OF GEFITINIB ABL1, EGFR, ERBB2 ENPP1 3074/4885EGFR 2/4885PDE10A 2574/4885
US-20100143295-A1 QUINAZOLINE INHIBITORS OF EGFR TYROSINE KINASE EGFR, ABL1, ERBB2 ENPP1 2552/4885EGFR 1/4885PDE10A 2012/4885
US-20110059046-A1 DERIVATIVES OF GEFITINIB ABL1, EGFR, ERBB2 ENPP1 3074/4885EGFR 2/4885PDE10A 2574/4885

“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.