SCHEMBL30793679

SCHEMBL30793679

CCOC(=O)c1nn2c(c1I)CN(C(=O)O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ GABRG2 P18507 3/20 0.33
▸ GABRB3 P28472 3/20 0.33
▸ GABRA5 P31644 3/20 0.33
▸ HPGD P15428 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ TSHR P16473 3/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL30680379 0.85 GABRG2 (0.35) RAB9ANPC1GABRG2GABRB3GABRA5
SCHEMBL30793765 0.85 ADORA1 (0.42) HPGDALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL31066375 0.80 ALDH1A1 (0.42) RAB9ANPC1HPGDALDH1A1TSHR
SCHEMBL26969083 0.78 ALDH1A1 (0.37) RAB9ANPC1GABRG2GABRB3GABRA5
SCHEMBL23645427 0.73 ALDH1A1 (0.39) RAB9ANPC1HPGDALDH1A1TSHR
SCHEMBL31217261 0.72 ADORA2A (0.37) RAB9ANPC1HPGDALDH1A1TSHR
SCHEMBL30793790 0.72 ADORA1 (0.43) HPGDALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL25335700 0.71 NR1H2 (0.42) HPGDALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL31323684 0.71 ADORA1 (0.42) GABRG2GABRB3GABRA5HPGDALDH1A1
SCHEMBL30793168 0.71 ADORA1 (0.42) GABRG2GABRB3GABRA5HPGDALDH1A1

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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 — — US disclosed
EP-4540254-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 — — EP disclosed
WO-2023244604-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 — — 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 (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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS RAB9A 94/4885NPC1 3767/4885GABRG2 2717/4885

“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.

Send feedback