SCHEMBL22164657

SCHEMBL22164657

COc1cc2ncnc(-c3ccc(CBr)cc3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.57
▸ ENPP1 P22413 3/20 0.51
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ EGFR P00533 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ LCK P06239 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 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
SCHEMBL22164766 0.86 KIT (0.57) KITENPP1MEN1KMT2AKDM4E
SCHEMBL22300111 0.85 KIT (0.56) KITENPP1MEN1KMT2AKDM4E
SCHEMBL22300110 0.84 KIT (0.55) KITENPP1MEN1KMT2AKDM4E
SCHEMBL22169917 0.83 KIT (0.54) KITENPP1MEN1KMT2AKDM4E
SCHEMBL24008971 0.82 KIT (0.53) KITENPP1MEN1KMT2AKDM4E
SCHEMBL30288430 0.82 KIT (0.53) KITENPP1MEN1KMT2AKDM4E
SCHEMBL5569432 0.81 KIT (0.69) KITENPP1EGFRLCKKDR
SCHEMBL6180664 0.81 KIT (0.61) KITENPP1EGFRLCKKDR
SCHEMBL4782102 0.81 WHR1 (0.61) KITKDM4EHTTEGFRMAPK1
SCHEMBL22165149 0.81 KIT (0.52) KITENPP1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-02-24 — — US disclosed
US-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-02-24 — — US disclosed
EP-3902787-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2021-11-03 — — EP disclosed
WO-2020140001-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-07-02 — — WO disclosed
WO-2020140001-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-07-02 — — 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 (1 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-20220056052-A1 QUINAZOLINE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A KIT 4456/4885ENPP1 1/4885MEN1 1734/4885

“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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