SCHEMBL2453582

SCHEMBL2453582

c1ncc2c(n1)CCCNC2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2C P28335 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
PNMT P11086 2/20 0.32
CD44 P16070 1/20 0.31
MAOB P27338 1/20 0.31
ATR Q13535 1/20 0.30

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
SCHEMBL160968 0.89 POLB (0.43) POLBSMN1; SMN2HTR2CCHRNB2CHRNA4
SCHEMBL29772412 0.89 POLB (0.43) POLBSMN1; SMN2HTR2CCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL31126075 0.87 POLB (0.42) POLBSMN1; SMN2HTR2CCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7009520 0.87 POLB (0.42) POLBSMN1; SMN2HTR2CCHRNB2CHRNA4
SCHEMBL2452698 0.85 HTR2C (0.37) HTR2CCHRNB2CHRNA4PNMT
Bicarbonate SCHEMBL28884573 0.80 ATR (0.39) POLBSMN1; SMN2HTR2CCHRNB2CHRNA4
SCHEMBL1195270 0.78
SCHEMBL29376710 0.78
SCHEMBL397493 0.77 HTR2C (0.46) POLBSMN1; SMN2HTR2CCHRNB2CHRNA4
SCHEMBL29428686 0.77 HTR2C (0.46) POLBSMN1; SMN2HTR2CCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP claimed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US claimed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO claimed
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 US disclosed
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed
WO-2023244615-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 POLB 1195/4885SMN1; SMN2 318/4885HTR2C 963/4885
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS POLB 1520/4885SMN1; SMN2 3796/4885HTR2C 3093/4885

“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.