SCHEMBL31460072

SCHEMBL31460072

COC(=O)c1cc(Br)nn1CCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 1/20 0.33
F10 P00742 1/20 0.33
ITK Q08881 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL31459957 0.99 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL30860986 0.94 PDE4A (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL31493007 0.91 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL31696418 0.84 KAT2B (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7417402 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL30631581 0.84 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL31692408 0.84 KDM4E (0.33) KDM4EF10CNR1CNR2
SCHEMBL27256776 0.82 NPC1 (0.32) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL31696588 0.81 HPGD (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL31094892 0.80 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 US disclosed
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 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 (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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS KDM4E 2625/4885ALDH1A1 3283/4885HPGD 696/4885
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS KDM4E 2782/4885ALDH1A1 3667/4885HPGD 2499/4885

“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.