SCHEMBL29977171

SCHEMBL29977171

Nc1c(Cl)nc2ccccc2c1NCc1ccc(CN2CCCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
CACNA2D1 P54289 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL24732675 1.00 HRH3 (0.41) HRH3KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL29977733 0.84 HRH3 (0.44) HRH3KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL29977796 0.84 HRH3 (0.50) HRH3KMT2ALMNAMEN1MAPT
SCHEMBL24732998 0.84 HRH3 (0.44) HRH3KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL24732823 0.84 HRH3 (0.50) HRH3KMT2ALMNAMEN1MAPT
SCHEMBL24733020 0.83 ALDH1A1 (0.43) HRH3KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL29809264 0.83 ALDH1A1 (0.43) HRH3KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL30779220 0.81 TOP2A (0.41) HRH3KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL24732588 0.81 ACP1 (0.46) HRH3KMT2ALMNAMEN1MAPT
SCHEMBL29809445 0.81 ACP1 (0.46) HRH3KMT2ALMNAMEN1MAPT

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 3 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-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 244/4885KMT2A 2443/4885LMNA 1854/4885

“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.