SCHEMBL29977477

SCHEMBL29977477

Nc1c(Cl)nc2ccccc2c1NCc1cccc(-c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
HIF1A Q16665 5/20 0.46
APP P05067 7/20 0.46
PDE5A O76074 2/20 0.46
POLB P06746 1/20 0.45
RAD52 P43351 1/20 0.45
METAP1 P53582 2/20 0.41
JAK2 O60674 1/20 0.40
PPP1CA P62136 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL24733039 1.00 KMT2A (0.46) KMT2AMEN1NPC1HIF1AAPP
SCHEMBL29977534 0.84 BACE1 (0.52) KMT2AMEN1HIF1AAPPPDE5A
SCHEMBL24733043 0.84 BACE1 (0.52) KMT2AMEN1HIF1AAPPPDE5A
SCHEMBL24732902 0.83 PDE5A (0.48) KMT2AMEN1NPC1HIF1APDE5A
SCHEMBL29809088 0.83 PDE5A (0.48) KMT2AMEN1NPC1HIF1APDE5A
SCHEMBL13968056 0.82 KMT2A (0.66) KMT2AMEN1APPPDE5APOLB
SCHEMBL30947352 0.80 APP (0.47) KMT2AAPPPDE5APOLBRAD52
SCHEMBL8114510 0.79 BCHE (0.56) KMT2AMEN1NPC1PDE5APOLB
SCHEMBL5073659 0.79 APP (0.48) KMT2AMEN1NPC1APPPDE5A
SCHEMBL8121604 0.78 KMT2A (0.55) KMT2AMEN1APPPDE5APOLB

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 KMT2A 2443/4885MEN1 2988/4885NPC1 626/4885

“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.