SCHEMBL21334734

SCHEMBL21334734

COC(=O)[C@H](CO)NC(=O)c1cc(C)c(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.47
CD274 Q9NZQ7 7/20 0.47
CNR2 P34972 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APOBEC3G Q9HC16 2/20 0.41
TAS1R3 Q7RTX0 5/20 0.39
TAS1R1 Q7RTX1 5/20 0.39
ULK1 O75385 2/20 0.37

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
SCHEMBL20519193 0.87 PDCD1 (0.45) PDCD1CD274CNR2
SCHEMBL20519192 0.87 PDCD1 (0.45) PDCD1CD274CNR2
SCHEMBL20519001 0.79 CNR2 (0.52) PDCD1CD274CNR2TAS1R3TAS1R1
SCHEMBL20519003 0.79 CNR2 (0.52) PDCD1CD274CNR2TAS1R3TAS1R1
SCHEMBL20524393 0.79 CNR2 (0.39) PDCD1CD274CNR2
SCHEMBL1458785 0.74 P2RX7 (0.41) PDCD1CD274CNR2
SCHEMBL14136595 0.74 CNR2 (0.41) PDCD1CD274CNR2MEN1KMT2A
SCHEMBL15033682 0.74 METAP2 (0.46) PDCD1CD274MEN1KMT2A
SCHEMBL1459953 0.73 MAPK1 (0.47)
SCHEMBL1459777 0.73 NPC1 (0.43) KMT2A

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
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 US disclosed
CN-110678466-A Naphthyridines as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-10 CN disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 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-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 PDCD1 524/4885CD274 2378/4885CNR2 4556/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 PDCD1 524/4885CD274 2378/4885CNR2 4556/4885

“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.