SCHEMBL2222646

SCHEMBL2222646

CN(C)c1ccc(-c2c[c]ccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.43
MAP3K11 Q16584 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADK P55263 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
TDO2 P48775 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
USP30 Q70CQ3 1/20 0.36
GRM2 Q14416 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7945429 0.79 HPGDS (0.44) NPC1RAB9ATDO2USP30PKM
SCHEMBL5609607 0.79 MAP3K11 (0.45) APPMAP3K11NPC1RAB9APOLB
SCHEMBL16404619 0.78 CKS1B (0.52) APPMAP3K11NPC1RAB9APOLB
SCHEMBL2182151 0.75 ADORA2A (0.45) NPC1RAB9ACKS1BSKP1SKP2
SCHEMBL27858064 0.74 CYP2A6 (0.55) NPC1RAB9APOLBMAPTSMN1; SMN2
SCHEMBL3140268 0.74 MAP4K4 (0.53) MAP3K11NPC1RAB9AGAAMAPT
SCHEMBL20448346 0.74 HSD17B1 (0.36) NPC1RAB9A
SCHEMBL2185764 0.74 CYP2A6 (0.44) MAPT
SCHEMBL1570069 0.73 HSD17B1 (0.53)
SCHEMBL21053115 0.73 CYP2A6 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384517-B Heteroaryl compounds and uses thereof 新旭生技股份有限公司 2023-07-14 CN disclosed
CN-112384517-A Heteroaryl compounds and uses thereof 新旭生技股份有限公司 2021-02-19 CN disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
CN-102791131-A Compounds and methods GLAXOSMITHKLINE LLC 2012-11-21 CN disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
WO-2011088031-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 APP 2905/4885MAP3K11 2840/4885NPC1 383/4885

“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.