SCHEMBL21836080

SCHEMBL21836080

O=C(O)c1cccn2c(=O)c3cc(C(F)(F)F)ccc3nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
CASP1 P29466 3/20 0.64
CASP7 P55210 3/20 0.64
HSD17B10 Q99714 3/20 0.64
ALDH1A1 P00352 7/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.45
POLR1A O95602 7/20 0.44
NPSR1 Q6W5P4 2/20 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
SCHEMBL29649831 1.00 KDM4E (0.64) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL21798922 0.84 KDM4E (0.69) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL21798985 0.82 KDM4E (0.60) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL21798961 0.82 KDM4E (0.71) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL21836061 0.81 POLR1A (0.58) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL21798938 0.81 KDM4E (0.69) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL21798898 0.81 KDM4E (0.69) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL7498198 0.81 KDM4E (0.69) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL21798993 0.81 KDM4E (0.69) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL21798989 0.80 KDM4E (0.71) KDM4ECASP1CASP7HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111247143-B Pyridoquinazoline derivatives useful as inhibitors of protein kinases 昂科斯特拉公司 2022-07-05 CN disclosed
US-11021479-B2 Pyridoquinazoline derivatives useful as protein kinase inhibitors ONCOSTELLAE, S.L. (ES) 2021-06-01 US disclosed
EP-3632912-B1 PYRIDOQUINAZOLINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS ONCOSTELLAE S L (ES) 2021-03-17 EP disclosed
CN-111247143-A Pyridoquinazoline derivatives useful as inhibitors of protein kinases 昂科斯特拉公司 2020-06-05 CN disclosed
US-20200148676-A1 PYRIDOQUINAZOLINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS ONCOSTELLAE, S.L. (ES) 2020-05-14 US disclosed
EP-3632912-A1 PYRIDOQUINAZOLINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Oncostellae, S.L. (ES) 2020-04-08 EP 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 (2 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-20200148676-A1 PYRIDOQUINAZOLINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP4K2, MAP4K1, MAP4K3 KDM4E 1078/4885CASP1 1565/4885CASP7 2456/4885
US-11021479-B2 Pyridoquinazoline derivatives useful as protein kinase inhibitors MAP4K2, MAP4K1, MAP4K3 KDM4E 1078/4885CASP1 1565/4885CASP7 2456/4885

“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.