SCHEMBL9925491

SCHEMBL9925491

Cc1nc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
HCAR1 Q9BXC0 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
TSHR P16473 2/20 0.44
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 3/20 0.43
MAPT P10636 2/20 0.43
HSP90AA1 P07900 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
SCHEMBL22223170 0.85 HTT (0.55) AVPR1AMEN1KMT2AHTTMAPK1
SCHEMBL3421775 0.82 MEN1 (0.55) AVPR1AMEN1KMT2AESR1ESR2
SCHEMBL15101121 0.81 SMN1; SMN2 (0.44) AVPR1AMEN1KMT2AHTTMAPK1
SCHEMBL2173277 0.81 BCHE (0.65) AVPR1AMEN1KMT2AESR1ESR2
Bromide SCHEMBL28478160 0.79 BCHE (0.63) AVPR1AMEN1KMT2AESR1ESR2
Phosphine SCHEMBL28534966 0.79 BCHE (0.63) AVPR1AMEN1KMT2AESR1ESR2
SCHEMBL11515633 0.76 PTGER1 (0.47) MEN1KMT2AHTTPI4KAPI4K2B
SCHEMBL12425052 0.75 BCHE (0.55) ESR1ESR2HTTBCHEACHE
SCHEMBL28501031 0.75 AVPR1A (0.44) AVPR1AMEN1KMT2AESR1ESR2
SCHEMBL2475314 0.74 BCHE (0.67) HTTMAPK1BCHEACHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US disclosed
US-20190189933-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ELECTRON TRANSPORT DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2019-06-20 US disclosed
US-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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 (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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 AVPR1A 3704/4885MEN1 510/4885KMT2A 1512/4885

“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.