SCHEMBL20913352

SCHEMBL20913352

CCOC(OCC)c1cc2cnc(Cl)nc2n1C1(CNC(=O)O)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
HCN4 Q9Y3Q4 9/20 0.33
HCN1 O60741 8/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.31
LMNA P02545 1/20 0.31
HCN3 Q9P1Z3 1/20 0.31
HCN2 Q9UL51 1/20 0.31
RAB9A P51151 1/20 0.31
NPC1 O15118 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 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
SCHEMBL16036398 0.99 TP53 (0.33) TP53HCN4HCN1ALDH1A1TSHR
SCHEMBL30926497 0.89 STK17B (0.37) TP53HCN4HCN1
SCHEMBL16076736 0.89 STK17B (0.37) TP53HCN4HCN1
SCHEMBL20959593 0.88 WNT1 (0.34)
SCHEMBL20959598 0.88 WNT1 (0.34)
SCHEMBL29620330 0.88 STK17B (0.38)
SCHEMBL4549858 0.88 STK17B (0.38)
SCHEMBL20913367 0.86 TP53 (0.35) TP53HCN4ALDH1A1MC4RLMNA
SCHEMBL24052556 0.86
SCHEMBL25857099 0.86 HCAR1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 US disclosed
US-10618905-B2 Pyrimidine-based compounds for the treatment of cancer G1 THERAPEUTICS, INC. (US) 2020-04-14 US disclosed
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-04-25 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 (3 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-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD TP53 25/4885HCN4 4659/4885HCN1 4717/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD TP53 25/4885HCN4 4659/4885HCN1 4717/4885
US-10618905-B2 Pyrimidine-based compounds for the treatment of cancer TYMS, TYMP, DPYD TP53 25/4885HCN4 4659/4885HCN1 4717/4885

“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.