SCHEMBL29658016

SCHEMBL29658016

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(Cl)nc2C(N)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PARP1 P09874 5/20 0.47
PARP2 Q9UGN5 4/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
STS P08842 5/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NTRK1 P04629 1/20 0.43
KMT2A Q03164 1/20 0.42
USP30 Q70CQ3 1/20 0.42
MAPK8 P45983 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL22701140 1.00 PTPN2 (0.50) PTPN2PTPN1PTPN6PARP1PARP2
SCHEMBL23316236 0.82 PTPN2 (0.56) PTPN2PTPN1PTPN6PARP1ABL1
SCHEMBL26025076 0.79 PTPN2 (0.54) PTPN2PTPN1PTPN6PARP1PARP2
SCHEMBL25362245 0.79 PTPN2 (0.54) PTPN2PTPN1PTPN6PARP1PARP2
SCHEMBL30496051 0.79 PTPN2 (0.54) PTPN2PTPN1PTPN6PARP1PARP2
SCHEMBL22701155 0.78 PTPN2 (0.50) PTPN2PTPN1PTPN6PARP1PARP2
SCHEMBL24496409 0.78 PTPN2 (0.52) PTPN2PTPN1PTPN6PARP1PARP2
SCHEMBL29596815 0.78 PTPN2 (0.52) PTPN2PTPN1PTPN6PARP1PARP2
SCHEMBL22701189 0.77 PARP1 (0.47) PTPN2PTPN1PTPN6PARP1PARP2
SCHEMBL1534310 0.76 PTPN2 (0.72) PTPN2PTPN1PTPN6ABL1RIN1

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-20220227729-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-07-21 US disclosed
EP-3972963-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS Bayer Aktiengesellschaft (DE) 2022-03-30 EP 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 (1 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-20220227729-A1 IDENTIFICATION AND USE OF KRAS INHIBITORS KRAS, NRAS, BRCA1 PTPN2 330/4885PTPN1 150/4885PTPN6 282/4885

“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.