SCHEMBL21290740

SCHEMBL21290740

c1cc(-c2cccc(-c3cnccn3)c2)cc(-c2cnccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.55
GRK6 P43250 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
KMO O15229 1/20 0.46
DHFR P00374 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
PIM1 P11309 2/20 0.45
ABL1 P00519 2/20 0.45
CYP2A6 P11509 3/20 0.44
BACE1 P56817 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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 0.94 PIM2 (0.55) PIM2GRK6PIK3CDPIK3CAPIK3CB
SCHEMBL21322286 0.94 PIM2 (0.55) PIM2GRK6PIK3CDPIK3CAPIK3CB
SCHEMBL8382341 0.92 PIM2 (0.50) PIM2GRK6PIK3CDPIK3CAPIK3CB
SCHEMBL21322289 0.91 CYP2A6 (0.59) PIM2GRK6PIK3CDPIK3CAPIK3CB
SCHEMBL12551731 0.86 PIM2 (0.56) PIM2GRK6KMOPIM1ABL1
SCHEMBL18327445 0.86 PIM2 (0.49) PIM2GRK6PIK3CDPIK3CAPIK3CB
SCHEMBL18327583 0.85 PIM2 (0.48) PIM2GRK6PIK3CDPIK3CAPIK3CB
SCHEMBL25769588 0.85 IDO1 (0.51) PIM2GRK6ABL1BACE1CYP2D6
SCHEMBL10353415 0.84 IDO1 (0.50) PIM2KMOPIM1ABL1CYP19A1
SCHEMBL4707361 0.84 MEN1 (0.59) PIM2PIK3CDPIK3CAPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4227302-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-16 EP disclosed
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
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 PIM2 611/4885GRK6 1504/4885PIK3CD 3024/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 PIM2 611/4885GRK6 1504/4885PIK3CD 3024/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 PIM2 611/4885GRK6 1504/4885PIK3CD 3024/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 PIM2 611/4885GRK6 1504/4885PIK3CD 3024/4885

“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.