SCHEMBL23645294

SCHEMBL23645294

O=c1[nH]c2c(c(=O)[nH]1)CCC1(CCc3ccccc31)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIGMAR1 Q99720 10/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC18A3 Q16572 2/20 0.34
AKR1B1 P15121 1/20 0.34
HSD11B1 P28845 1/20 0.34
HDAC9 Q9UKV0 1/20 0.33

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 0.93 AKR1B1 (0.40) ALDH1A1MAPTSLC6A5TSHRSIGMAR1
SCHEMBL23644311 0.85 SLC6A5 (0.34) ALDH1A1MAPTSLC6A5
SCHEMBL30291229 0.85 SLC6A5 (0.34) ALDH1A1MAPTSLC6A5
SCHEMBL23685984 0.83 ALDH1A1 (0.38) ALDH1A1MAPTSLC6A5CYP1A2CYP3A4
SCHEMBL23630258 0.81 KDM1A (0.40) ALDH1A1MAPTSLC6A5
SCHEMBL23686071 0.78 SIGMAR1 (0.40) ALDH1A1MAPTSLC6A5TSHRTDP1
SCHEMBL23645291 0.77 KDM1A (0.39) ALDH1A1MAPTSLC6A5AKR1B1
SCHEMBL22709351 0.71 MEN1 (0.41) ALDH1A1MAPTTSHRTP53CYP1A2
SCHEMBL23668852 0.69 TYMS (0.43) ALDH1A1SIGMAR1AKR1B1
SCHEMBL23360852 0.68 SIGMAR1 (0.44) ALDH1A1TSHRTDP1SIGMAR1TP53

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 ALDH1A1 349/4885MAPT 4687/4885SLC6A5 1142/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS ALDH1A1 349/4885MAPT 4687/4885SLC6A5 1142/4885

“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.