SCHEMBL29977796

SCHEMBL29977796

Nc1c(Cl)nc2ccccc2c1NCc1ccc(CN2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
ACP1 P24666 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
RAD52 P43351 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
APP P05067 2/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
KDM1A O60341 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
SCHEMBL24732823 1.00 HRH3 (0.50) HRH3ACP1KMT2APOLBRAD52
SCHEMBL24732588 0.91 ACP1 (0.46) HRH3ACP1KMT2APOLBRAD52
SCHEMBL29809445 0.91 ACP1 (0.46) HRH3ACP1KMT2APOLBRAD52
SCHEMBL29976921 0.90 HRH3 (0.46) HRH3ACP1KMT2APOLBRAD52
SCHEMBL24732723 0.90 HRH3 (0.46) HRH3ACP1KMT2APOLBRAD52
SCHEMBL24733029 0.88 HRH3 (0.42) HRH3ACP1KMT2APOLBRAD52
SCHEMBL29976904 0.88 HRH3 (0.42) HRH3ACP1KMT2APOLBRAD52
SCHEMBL24732998 0.88 HRH3 (0.44) HRH3KMT2APOLBRAD52KDM4E
SCHEMBL29977733 0.88 HRH3 (0.44) HRH3KMT2APOLBRAD52KDM4E
SCHEMBL13968056 0.85 KMT2A (0.66) KMT2APOLBRAD52KDM4EMAPT

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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
CN-117736210-A Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2024-03-22 CN disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN 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 HRH3 244/4885ACP1 3773/4885KMT2A 2443/4885

“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.