SCHEMBL29977635

SCHEMBL29977635

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c(NCc3ccc(CN4CCCC4)c(Cl)c3)c2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.49
PDE5A O76074 2/20 0.41
NCF1 P14598 1/20 0.41
BCHE P06276 2/20 0.41
APP P05067 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCR4 P61073 1/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL24733058 1.00 ACP1 (0.49) ACP1PDE5ANCF1BCHEAPP
SCHEMBL30947350 0.91 ACP1 (0.47) ACP1NCF1BCHEAPPMEN1
SCHEMBL24732635 0.91 ACP1 (0.47) ACP1NCF1BCHEAPPMEN1
SCHEMBL24732681 0.90 ACP1 (0.56) ACP1NCF1BCHEAPPMEN1
SCHEMBL30947344 0.90 ACP1 (0.56) ACP1NCF1BCHEAPPMEN1
SCHEMBL29977925 0.87 EGFR (0.52) ACP1PDE5ABCHEMEN1KMT2A
SCHEMBL30947348 0.83 ACP1 (0.45) ACP1NCF1BCHEAPPMEN1
SCHEMBL24732638 0.80 ACP1 (0.48) ACP1MEN1KMT2ALMNA
SCHEMBL30947349 0.80 ACP1 (0.48) ACP1MEN1KMT2ALMNA
SCHEMBL30947351 0.80 ACP1 (0.48) ACP1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 ACP1 3773/4885PDE5A 3965/4885NCF1 600/4885

“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.