SCHEMBL23840294

SCHEMBL23840294

Cc1cc(-n2c(C)nc3ccccc32)c(Cl)c(-n2c(C)nc3ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
RAB9A P51151 2/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
TNF P01375 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH3A1 P30838 3/20 0.41
BMI1 P35226 1/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 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
SCHEMBL24179379 0.93 TSHR (0.54) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL24179327 0.90 TSHR (0.54) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL13080878 0.83 TSHR (0.73) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL24179293 0.81 TSHR (0.45) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL19486460 0.81 TSHR (0.82) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL15631604 0.81 TSHR (0.71) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL3062634 0.80 TSHR (0.70) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL16739793 0.78 MAPK1 (0.53) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL20041714 0.78 TSHR (0.58) TSHRMAPK1HTTPIK3CDPIK3CA
SCHEMBL13052907 0.78 HTT (0.61) TSHRMAPK1HTTPIK3CDPIK3CA

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-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
WO-2021185712-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-23 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 (1 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-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, CTCF, EED TSHR 4785/4885MAPK1 3866/4885HTT 255/4885

“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.