SCHEMBL21290464

SCHEMBL21290464

CC(C)CNCc1ccnn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4C Q9H3R0 2/20 0.40
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 3/20 0.35
KCNH2 Q12809 1/20 0.34
IDO1 P14902 1/20 0.33
HPGDS O60760 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NLRP3 Q96P20 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL10035078 0.79 KMT2A (0.51) KMT2AL3MBTL1DRD4DRD3KDM4C
SCHEMBL6639235 0.78 KMT2A (0.50) KMT2AL3MBTL1DRD4DRD3KDM4C
SCHEMBL26985886 0.75 DRD4 (0.52) KMT2AL3MBTL1DRD4DRD3KDM4C
SCHEMBL10061627 0.75
SCHEMBL12786644 0.75 KMT2A (0.42) KMT2AL3MBTL1DRD4DRD3KDM4C
SCHEMBL18924724 0.74 KMT2A (0.54) KMT2AL3MBTL1DRD4DRD3KDM4C
SCHEMBL25378900 0.74 DRD4 (0.48) KMT2AL3MBTL1DRD4DRD3KDM4C
SCHEMBL21386195 0.73
SCHEMBL26994947 0.72 DRD4 (0.50) KMT2AL3MBTL1DRD4DRD3KDM4C
SCHEMBL17687023 0.72 DRD4 (0.50) KMT2AL3MBTL1DRD4DRD3KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 US disclosed
US-10710986-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-14 US disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 US disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 WO 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 (4 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 KMT2A 1682/4885L3MBTL1 2141/4885DRD4 4527/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 KMT2A 1682/4885L3MBTL1 2141/4885DRD4 4527/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 KMT2A 1682/4885L3MBTL1 2141/4885DRD4 4527/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 KMT2A 1682/4885L3MBTL1 2141/4885DRD4 4527/4885

“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.