SCHEMBL23668795

SCHEMBL23668795

Nc1nc2c(c(=O)[nH]1)CCC1(CCc3c(Cl)cccc31)C2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMS P04818 15/20 0.41
KDM1A O60341 1/20 0.39
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
XDH P47989 1/20 0.34

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
SCHEMBL30291425 1.00 TYMS (0.41) TYMSKDM1ATNKSTNKS2XDH
SCHEMBL25551766 0.83 HPGD (0.41) TNKSTNKS2
SCHEMBL30067270 0.83 HPGD (0.41) TNKSTNKS2
SCHEMBL23668852 0.80 TYMS (0.43) TYMSTNKSTNKS2
SCHEMBL24483582 0.79 HPGD (0.43) TNKSTNKS2
SCHEMBL23630258 0.75 KDM1A (0.40) KDM1ATNKSTNKS2
SCHEMBL23668853 0.75 TYMS (0.41) TYMSTNKSTNKS2
SCHEMBL23645122 0.75 KDM1A (0.41) KDM1A
SCHEMBL23645263 0.72 KDM1A (0.44) KDM1A
SCHEMBL25419112 0.70 KDM1A (0.37) KDM1A

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 2 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

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 TYMS 1097/4885KDM1A 3827/4885TNKS 1508/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS TYMS 1097/4885KDM1A 3827/4885TNKS 1508/4885

“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.