SCHEMBL21322286

SCHEMBL21322286

c1ccc(-c2cccc(-c3cccc(-c4cnccn4)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.55
PIM1 P11309 2/20 0.49
GRK6 P43250 1/20 0.47
BACE1 P56817 1/20 0.47
KMO O15229 3/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2A6 P11509 1/20 0.44
KDR P35968 1/20 0.44
METAP2 P50579 1/20 0.44
DHFR P00374 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
SCN9A Q15858 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL27519625 1.00 PIM2 (0.55) PIM2PIM1GRK6BACE1KMO
SCHEMBL21290740 0.94 PIM2 (0.55) PIM2PIM1GRK6BACE1KMO
SCHEMBL18327445 0.92 PIM2 (0.49) PIM2PIM1GRK6BACE1KMO
SCHEMBL8382341 0.91 PIM2 (0.50) PIM2PIM1GRK6BACE1KMO
SCHEMBL21322289 0.89 CYP2A6 (0.59) PIM2PIM1GRK6BACE1CYP2A6
SCHEMBL9974998 0.87 PIM2 (0.45) PIM2PIM1GRK6BACE1CYP19A1
SCHEMBL18327355 0.87 PIM2 (0.48) PIM2PIM1GRK6BACE1KMO
SCHEMBL18327334 0.86 PIM2 (0.50) PIM2PIM1GRK6BACE1KMO
SCHEMBL13457927 0.86 CYP19A1 (0.51) PIM2PIM1CYP19A1CYP2A6KDR
SCHEMBL29904375 0.86 CYP2A6 (0.52) PIM2PIM1CYP19A1CYP2A6KDR

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-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

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 PIM2 611/4885PIM1 242/4885GRK6 1504/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 PIM2 611/4885PIM1 242/4885GRK6 1504/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 PIM2 611/4885PIM1 242/4885GRK6 1504/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 PIM2 611/4885PIM1 242/4885GRK6 1504/4885

“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.