SCHEMBL2916286

SCHEMBL2916286

Nc1nc(Cl)nc2c(Cl)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.51
ACHE P22303 2/20 0.47
CHEK1 O14757 1/20 0.44
FLT3 P36888 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
LMNA P02545 2/20 0.43
PDE10A Q9Y233 1/20 0.43
PARP1 P09874 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 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
SCHEMBL29663394 0.81 HTT (0.46) NR4A2CHEK1FLT3PLK3LMNA
SCHEMBL11606052 0.81 HRH4 (0.44) NR4A2LMNAPARP1HTTMAPT
SCHEMBL14391601 0.81 HTT (0.39) NR4A2ACHECHEK1FLT3PLK3
SCHEMBL19876648 0.81 SMN1; SMN2 (0.41) NR4A2CHEK1FLT3PLK3LMNA
SCHEMBL558306 0.81 HTT (0.46) NR4A2CHEK1FLT3PLK3LMNA
SCHEMBL29417321 0.79 NR4A2 (0.46) NR4A2ACHELMNAPDE10APARP1
SCHEMBL2916780 0.79 NR4A2 (0.46) NR4A2ACHELMNAPDE10APARP1
SCHEMBL2919206 0.77 ELANE (0.40) NR4A2CYP1A2HTTMAPTRAB9A
SCHEMBL19876666 0.77 ENPP1 (0.48) LMNACYP2A6MAP4K4CSF1RFGFR1
SCHEMBL8899462 0.77 KDM4E (0.49) PARP1HTTHSP90AB1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 US disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 WO disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 WO disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
WO-2009084695-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2009-07-09 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 (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-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS ADRB1, ADRB2, ADRA2B NR4A2 104/4885ACHE 605/4885CHEK1 2502/4885
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K NR4A2 2424/4885ACHE 4581/4885CHEK1 131/4885

“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.