SCHEMBL3553958

SCHEMBL3553958

COC(=O)c1ccnc(N)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
GAA P10253 4/20 0.53
GLA P06280 3/20 0.53
NOS3 P29474 1/20 0.47
NOS2 P35228 1/20 0.47
HSD17B10 Q99714 3/20 0.46
CFTR P13569 1/20 0.46
PSMD14 O00487 1/20 0.44
HPGD P15428 3/20 0.42
ATM Q13315 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
PTGER4 P35408 1/20 0.41
ATR Q13535 1/20 0.41
ABL1 P00519 1/20 0.41
NUDT1 P36639 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL18224721 0.84 KDM4E (0.54) KDM4EALDH1A1GAAGLANOS3
SCHEMBL12633740 0.83 NUDT1 (0.56) KDM4EALDH1A1NOS3NOS2HSD17B10
SCHEMBL21749959 0.82 KDM4E (0.53) KDM4EALDH1A1GAAGLAHSD17B10
Acetic Acid Methyl Ester SCHEMBL28120651 0.82 ATR (0.43) KDM4EALDH1A1GAAGLANOS3
SCHEMBL13041779 0.81 KDM4E (0.47) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL27497167 0.81 NOS3 (0.43) KDM4EALDH1A1GAAGLANOS3
SCHEMBL31032953 0.81 KDM4E (0.51) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL3630664 0.81 GAA (0.51) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL5169967 0.79 NOS3 (0.52) KDM4ENOS3NOS2MAPT
SCHEMBL480040 0.79 NAPRT (0.55) KDM4EALDH1A1NOS3NOS2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-10-17 US disclosed
WO-2024178127-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-08-29 WO disclosed
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEONE MEDICINES I GMBH (CH) 2022-09-15 US disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 CN disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
EP-2671582-B1 RING-FUSED HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-07-13 EP disclosed
US-9000186-B2 Ring-fused heterocyclic derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-04-07 US disclosed
US-20140038941-A1 RING-FUSED HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-02-06 US disclosed
EP-2671582-A1 RING-FUSED HETEROCYCLIC DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2013-12-11 EP disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A KDM4E 489/4885ALDH1A1 4349/4885GAA 4379/4885
US-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 KDM4E 1701/4885ALDH1A1 290/4885GAA 813/4885
US-20220289712-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF MAPKAPK5, STK25, STK35 KDM4E 2401/4885ALDH1A1 3336/4885GAA 2071/4885
US-20140038941-A1 RING-FUSED HETEROCYCLIC DERIVATIVE CACNA1E, SLC8A1, CALCR KDM4E 3779/4885ALDH1A1 3112/4885GAA 4779/4885

“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.