SCHEMBL23940975

SCHEMBL23940975

Nc1n[nH]c2c(N=O)ccc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
CHEK1 O14757 1/20 0.42
FLT3 P36888 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
JAK2 O60674 4/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
IKBKB O14920 2/20 0.33
BTK Q06187 1/20 0.33
PDPK1 O15530 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
SGK1 O00141 1/20 0.32
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11753306 0.80 FLT3 (0.57) GAACHEK1FLT3PLK3MAPT
SCHEMBL16680720 0.74 GAA (0.49) GAACHEK1FLT3PLK3MAPT
SCHEMBL15996035 0.74 GAA (0.49) GAACHEK1FLT3PLK3MAPT
SCHEMBL29845429 0.71 TDP1 (0.43) GAACHEK1FLT3PLK3MAPT
SCHEMBL21811225 0.71 TDP1 (0.43) GAACHEK1FLT3PLK3MAPT
SCHEMBL24088585 0.66 ADORA2A (0.32) GAAMAPTLMNAKDM4E
SCHEMBL24805772 0.65 HTT (0.33) LMNA
SCHEMBL12325103 0.62 GAA (0.61) GAACHEK1FLT3PLK3JAK2
SCHEMBL186280 0.62 GAA (1.00) GAACHEK1FLT3PLK3JAK2
SCHEMBL21969607 0.61 MEN1 (0.42) MAPTMEN1KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-11-09 US disclosed
US-20210395262-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
US-20210323961-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 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 (3 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-20210323961-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H GAA 278/4885CHEK1 775/4885FLT3 2802/4885
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H GAA 278/4885CHEK1 775/4885FLT3 2802/4885
US-20210395262-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, REV1, POLR2E GAA 298/4885CHEK1 855/4885FLT3 2888/4885

“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.