SCHEMBL13916705

SCHEMBL13916705

c1ccc(-c2nc3nccnc3n2-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 3/20 0.57
CYP2C19 P33261 1/20 0.57
PI4KA P42356 1/20 0.51
PI4K2B Q8TCG2 1/20 0.51
PI4K2A Q9BTU6 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
KMT2A Q03164 3/20 0.45
BACE1 P56817 1/20 0.42
AVPR1A P37288 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13998682 0.95 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C19PI4KAPI4K2B
SCHEMBL13916712 0.92 ALDH1A1 (0.49) ALDH1A1TSHRCYP2C19PI4KAPI4K2B
SCHEMBL13053161 0.88 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C19PI4KAPI4K2B
SCHEMBL24367756 0.85 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C19PI4KAPI4K2B
SCHEMBL25536931 0.85 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C19PI4KAPI4K2B
SCHEMBL26297792 0.84 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C19PI4KAPI4K2B
SCHEMBL13052997 0.83 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19PI4KAPI4K2B
SCHEMBL26855425 0.82 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C19PI4KAPI4K2B
SCHEMBL19763046 0.82 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C19KMT2AMEN1
SCHEMBL13998694 0.82 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C19PI4KAPI4K2B

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 US disclosed
US-7504161-B2 Luminescent element FUJIFILM CORPORATION (JP) 2009-03-17 US disclosed
US-7504161-B2 Luminescent element FUJIFILM CORPORATION (JP) 2009-03-17 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 (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-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 ALDH1A1 2722/4885TSHR 1332/4885CYP2C19 2626/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 ALDH1A1 2722/4885TSHR 1332/4885CYP2C19 2626/4885

“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.