SCHEMBL21494871

SCHEMBL21494871

CCOc1cc2c(O)nc(C)nc2cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 6/20 0.52
▸ SOS1 Q07889 6/20 0.52
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.36
▸ MAPT P10636 1/20 0.34

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
SCHEMBL29926561 1.00 KRAS (0.52) KRASSOS1GABRPGABRDGABRA1
SCHEMBL21494905 0.84 KRAS (0.48) KRASSOS1GABRPGABRDGABRA1
SCHEMBL29926474 0.84 KRAS (0.48) KRASSOS1GABRPGABRDGABRA1
SCHEMBL30749436 0.81 KRAS (0.52) KRASSOS1GABRPGABRDGABRA1
SCHEMBL25746416 0.81 KRAS (0.52) KRASSOS1GABRPGABRDGABRA1
SCHEMBL31391554 0.81 KRAS (0.52) KRASSOS1GABRPGABRDGABRA1
SCHEMBL24800366 0.73 ALDH1A1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21494875 0.73 KRAS (0.33) KRASSOS1
SCHEMBL29863061 0.73 KRAS (0.33) KRASSOS1
SCHEMBL30754558 0.73 TOP1 (0.32) KRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES BAYER AG (DE) 2023-01-26 — — US disclosed
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES BAYER AG (DE) 2023-01-26 — — US disclosed
CN-115315424-A 2-methyl-aza-quinazolines 拜耳公司 2022-11-08 — — CN disclosed
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-01 — — US disclosed
EP-4045505-A1 2-METHYL-AZA-QUINAZOLINES Bayer Aktiengesellschaft (DE) 2022-08-24 — — EP disclosed
WO-2021074227-A1 2-METHYL-AZA-QUINAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 — — WO disclosed
EP-3781565-A1 2-METHYL-AZA-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2021-02-24 — — EP disclosed
WO-2019201848-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-24 — — WO disclosed
WO-2019201848-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-24 — — 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 (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-20230029385-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT KRAS 145/4885SOS1 2630/4885GABRP 4470/4885
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT KRAS 116/4885SOS1 2692/4885GABRP 4409/4885

“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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