SCHEMBL21836072

SCHEMBL21836072

O=C(NC1CCCCC1)c1cccn2c(=O)c3cc(Br)ccc3nc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
POLR1A O95602 6/20 0.60
CASP1 P29466 2/20 0.58
CASP7 P55210 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALOX15 P16050 2/20 0.58
KDM4E B2RXH2 5/20 0.54
HPGD P15428 3/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
GPR55 Q9Y2T6 2/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL21993198 1.00 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21836076 0.99 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21798951 0.90 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21798952 0.90 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL29649787 0.89 POLR1A (0.61) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21836068 0.89 POLR1A (0.61) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21836067 0.88 POLR1A (0.63) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL21836090 0.88 POLR1A (0.60) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL29649827 0.88 POLR1A (0.63) ALDH1A1KMT2AMEN1POLR1ACASP1
SCHEMBL29649752 0.88 POLR1A (0.60) ALDH1A1KMT2AMEN1POLR1ACASP1

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 12 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 claimed
US-11021479-B2 Pyridoquinazoline derivatives useful as protein kinase inhibitors ONCOSTELLAE, S.L. (ES) 2021-06-01 US claimed
EP-3632912-B1 PYRIDOQUINAZOLINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS ONCOSTELLAE S L (ES) 2021-03-17 EP claimed
CN-111247143-A Pyridoquinazoline derivatives useful as inhibitors of protein kinases 昂科斯特拉公司 2020-06-05 CN claimed
US-20200148676-A1 PYRIDOQUINAZOLINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS ONCOSTELLAE, S.L. (ES) 2020-05-14 US claimed
EP-3632912-A1 PYRIDOQUINAZOLINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Oncostellae, S.L. (ES) 2020-04-08 EP claimed
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 ALDH1A1 4264/4885KMT2A 1202/4885MEN1 2945/4885
US-11021479-B2 Pyridoquinazoline derivatives useful as protein kinase inhibitors MAP4K2, MAP4K1, MAP4K3 ALDH1A1 4264/4885KMT2A 1202/4885MEN1 2945/4885

“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.