SCHEMBL27033740

SCHEMBL27033740

COc1ccc(CNc2ncccc2C(C)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.57
▸ CDK1 P06493 3/20 0.48
▸ CCNB2 O95067 2/20 0.48
▸ CCNB1 P14635 2/20 0.48
▸ CCNB3 Q8WWL7 2/20 0.48
▸ EGFR P00533 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NR2F2 P24468 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ APP P05067 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL31408671 0.86 NPC1 (0.59) NPC1CDK1CCNB2CCNB1CCNB3
SCHEMBL31279433 0.86 NPC1 (0.59) NPC1CDK1CCNB2CCNB1CCNB3
SCHEMBL29999499 0.85 NPC1 (0.58) NPC1CDK1CCNB2CCNB1CCNB3
SCHEMBL32669425 0.83 CDK1 (0.44) NPC1CDK1CCNB2CCNB1CCNB3
SCHEMBL21382408 0.81 NPC1 (0.62) NPC1EGFRPOLBNR2F2APP
SCHEMBL32669313 0.81 CDK1 (0.51) CDK1CCNB2CCNB1CCNB3EGFR
SCHEMBL12675591 0.79 NPC1 (0.64) NPC1CDK1CCNB2CCNB1CCNB3
SCHEMBL28283742 0.79 NPC1 (0.64) NPC1EGFRPOLBNR2F2APP
SCHEMBL1347342 0.78 NPC1 (0.62) NPC1CDK1CCNB2CCNB1CCNB3
SCHEMBL30835278 0.78 NPC1 (0.62) NPC1EGFRPOLBNR2F2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-01-25 — — US disclosed
US-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-01-25 — — US disclosed
US-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-01-25 — — US 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-20240025907-A1 QUINAZOLINE PAN-KRas INHIBITORS KRAS, NRAS, HRAS NPC1 2303/4885CDK1 766/4885CCNB2 1321/4885

“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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