SCHEMBL20913345

SCHEMBL20913345

CC(=O)c1cc2cnc(Cl)nc2n1C1(CNC(=O)O)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 4/20 0.33
P2RX7 Q99572 5/20 0.32
HCN4 Q9Y3Q4 1/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 1/20 0.31
NPC1 O15118 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CDK3 Q00526 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
SCHEMBL20913367 0.84 TP53 (0.35) TP53MEN1KMT2ASLC6A9P2RX7
SCHEMBL20913362 0.83 TP53 (0.33) TP53MEN1KMT2ASLC6A9P2RX7
SCHEMBL20913352 0.81 TP53 (0.35) TP53SLC6A9HCN4LMNARAB9A
SCHEMBL29437383 0.81 STK17B (0.40) TP53P2RX7
SCHEMBL16036398 0.80 TP53 (0.33) TP53HCN4
SCHEMBL29437388 0.79 STK17B (0.40) P2RX7
SCHEMBL22570052 0.78 STK17B (0.39) TP53KMT2AP2RX7LMNANPC1
SCHEMBL24052724 0.77 ALDH1A1 (0.33) CCNT1CDK1CDK4CCNA2CCND1
SCHEMBL20926946 0.77 STK17B (0.30)
SCHEMBL22623055 0.75 CCR9 (0.32)

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-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 25/4885MEN1 3076/4885KMT2A 890/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD TP53 25/4885MEN1 3076/4885KMT2A 890/4885
US-10618905-B2 Pyrimidine-based compounds for the treatment of cancer TYMS, TYMP, DPYD TP53 25/4885MEN1 3076/4885KMT2A 890/4885

“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.