SCHEMBL23564604

SCHEMBL23564604

COc1cc(C(C)C)nc2cc(Cl)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 4/20 0.42
NR4A2 P43354 1/20 0.41
SLC10A2 Q12908 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GAK O14976 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3969717 0.80 LMNA (0.58) POLBKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL23717024 0.76 MAOA (0.43) POLBKMT2AMEN1KDM4ESLC10A2
SCHEMBL23717032 0.74 KDM4E (0.57) POLBKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL23717025 0.73 MAOA (0.46) POLBKMT2AMEN1KDM4ESLC10A2
SCHEMBL1702115 0.73 LMNA (0.61) POLBKMT2ANR4A2GAKSMN1; SMN2
SCHEMBL10098970 0.70 PDE3B (0.33) KDM4ESLC10A2PDE3BPDE3ASMN1; SMN2
SCHEMBL8936165 0.70 POLB (0.42) ELANEPOLBKMT2AMEN1KDM4E
SCHEMBL10099089 0.70 CRHR1 (0.36) KMT2AMEN1KDM4ESLC10A2PDE3B
SCHEMBL2609305 0.70 NR4A2 (0.47) POLBKMT2AMEN1KDM4ENR4A2
SCHEMBL4957178 0.69 KDM4E (0.50) ELANEPOLBKMT2AMEN1KDM4E

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
WO-2021133750-A1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 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 (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-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK ELANE 2836/4885POLB 2184/4885KMT2A 2782/4885

“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.