SCHEMBL23645291

SCHEMBL23645291

O=c1[nH]c2c(c(=O)[nH]1)CCC1(CCCc3ccc(F)cc31)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PARP1 P09874 4/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
AKR1B1 P15121 1/20 0.31
DAO P14920 1/20 0.30
PARP10 Q53GL7 1/20 0.30
SLC6A5 Q9Y345 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
SCHEMBL23645290 0.84 AKR1B1 (0.40) ALDH1A1MAPTAKR1B1SLC6A5
SCHEMBL23685984 0.79 ALDH1A1 (0.38) KDM1AALDH1A1MAPTPARP1PARP10
SCHEMBL23645294 0.77 ALDH1A1 (0.39) ALDH1A1MAPTAKR1B1SLC6A5
SCHEMBL30291257 0.75 KDM1A (0.49) KDM1AMAPTPARP1AKR1B1PARP10
SCHEMBL23645191 0.75 KDM1A (0.49) KDM1AMAPTPARP1AKR1B1PARP10
SCHEMBL23630258 0.70 KDM1A (0.40) KDM1AALDH1A1MAPTTNKSTNKS2
SCHEMBL23645119 0.67 KDM1A (0.39) KDM1A
SCHEMBL23644311 0.67 SLC6A5 (0.34) ALDH1A1MAPTTNKSTNKS2SLC6A5
SCHEMBL30291229 0.67 SLC6A5 (0.34) ALDH1A1MAPTTNKSTNKS2SLC6A5
SCHEMBL30676955 0.65 ALDH1A1 (0.50) ALDH1A1MAPTSLC6A5

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-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
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.