SCHEMBL23630258

SCHEMBL23630258

O=c1[nH]c2c(c(=O)[nH]1)CCC1(CCc3c(Cl)cccc31)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32
SLC6A4 P31645 2/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
OPRK1 P41145 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE7B Q9NP56 1/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.32
CACNA1C Q13936 1/20 0.32
TNKS O95271 2/20 0.31
TNKS2 Q9H2K2 2/20 0.31

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
SCHEMBL23645294 0.81 ALDH1A1 (0.39) ALDH1A1MAPTSLC6A5
SCHEMBL23645290 0.78 AKR1B1 (0.40) ALDH1A1MAPTSLC6A5
SCHEMBL23668795 0.75 TYMS (0.41) KDM1ATNKSTNKS2
SCHEMBL30291425 0.75 TYMS (0.41) KDM1ATNKSTNKS2
SCHEMBL23645263 0.73 KDM1A (0.44) KDM1AGRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL23685984 0.73 ALDH1A1 (0.38) KDM1AALDH1A1MAPTSLC6A5LMNA
SCHEMBL23644311 0.73 SLC6A5 (0.34) ALDH1A1MAPTSLC6A5TNKSTNKS2
SCHEMBL30291229 0.73 SLC6A5 (0.34) ALDH1A1MAPTSLC6A5TNKSTNKS2
SCHEMBL30067270 0.72 HPGD (0.41) ALDH1A1MAPTLMNATNKSTNKS2
SCHEMBL25551766 0.72 HPGD (0.41) ALDH1A1MAPTLMNATNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087700-B Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2023-03-14 CN disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 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-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES KRAS, NRAS, HRAS KDM1A 3827/4885ALDH1A1 349/4885MAPT 4687/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS KDM1A 3827/4885ALDH1A1 349/4885MAPT 4687/4885

“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.