SCHEMBL23199259

SCHEMBL23199259

CNCc1ccc(CO)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
CD274 Q9NZQ7 2/20 0.40
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
CXCR4 P61073 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
FYN P06241 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL19580586 0.82 HRH3 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL4140258 0.79 CCR1 (0.41) PIK3CAPI4KAPI4KBFYNKDM4E
SCHEMBL6935249 0.79 GABRP (0.53) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16880638 0.79 NPSR1 (0.50) CD274FYNKDM4EMAPTPOLB
SCHEMBL1373687 0.78 HRH3 (0.42) KDM4EMAPTHRH3POLBNPC1
SCHEMBL27114456 0.76 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
Hydrochloric Acid SCHEMBL1890147 0.76 HRH3 (0.41) NOS3NOS1KDM4ECYP3A4MAPT
SCHEMBL14075263 0.75 POLB (0.41) KDM4EMAPTCA1CA2POLB
SCHEMBL23891933 0.74 HRH3 (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL5109146 0.74 HRH3 (0.44) KDM4ECYP3A4MAPTHRH3NPC1

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-12084445-B2 Broad-spectrum carbapenems VenatoRx Pharmaceuticals, Inc. (US) 2024-09-10 US disclosed
US-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 US disclosed
US-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 US disclosed
EP-3802538-A1 BROAD-SPECTRUM CARBAPENEMS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
CN-112513043-A Broad spectrum carbapenems 维纳拓尔斯制药公司 2021-03-16 CN 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 (2 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-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS MGAM, ALPI, SI PIK3CD 46/4885PIK3CA 48/4885PIK3CB 118/4885
US-12084445-B2 Broad-spectrum carbapenems MGAM, ALPI, SI PIK3CD 46/4885PIK3CA 48/4885PIK3CB 118/4885

“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.