SCHEMBL31460379

SCHEMBL31460379

Oc1c2ccccc2cc2[nH]ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ METAP2 P50579 10/20 0.45
▸ PIM1 P11309 2/20 0.45
▸ PIM3 Q86V86 1/20 0.43
▸ FGFR1 P11362 2/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL24536500 0.79 METAP2 (0.53) IDO1HSP90AA1CDK2METAP2PIM1
SCHEMBL23043099 0.79 IDO1 (0.47) IDO1HSP90AA1CDK2METAP2PIM1
SCHEMBL29680217 0.79 IDO1 (0.47) IDO1HSP90AA1CDK2METAP2PIM1
SCHEMBL29344697 0.75 METAP2 (0.45) IDO1HSP90AA1CDK2METAP2PIM1
SCHEMBL24632431 0.75 METAP2 (0.45) IDO1HSP90AA1CDK2METAP2PIM1
SCHEMBL26302437 0.75 METAP2 (0.52) IDO1HSP90AA1CDK2METAP2PIM1
SCHEMBL437148 0.73 PTPN22 (0.56) ALDH1A1HSD17B10TDP1
SCHEMBL11229647 0.71 ALDH1A1 (0.57) IDO1HSP90AA1CDK2METAP2FGFR1
Hydrochloric Acid SCHEMBL999376 0.71 IDO1 (0.47) IDO1HSP90AA1CDK2METAP2FGFR1
Methane SCHEMBL2327641 0.71 PTPN22 (0.54) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 — — US disclosed
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 — — CN 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-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS IDO1 4243/4885HSP90AA1 4179/4885CDK2 173/4885

“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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