SCHEMBL22255199

SCHEMBL22255199

CCCNc1ccn(C)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FYN P06241 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 1/20 0.38
HCAR3 P49019 1/20 0.38
CTSK P43235 1/20 0.37
NOTUM Q6P988 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
EPHX2 P34913 1/20 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
SCHEMBL23666643 0.89 ALDH1A1 (0.47) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17115796 0.83
SCHEMBL22242106 0.82 SMN1; SMN2 (0.49) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4419213 0.82 ALDH1A1 (0.53) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL15885943 0.79 ALDH1A1 (0.46) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL22253416 0.79 ALDH1A1 (0.46) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL21061054 0.78 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL24347367 0.78 SMN1; SMN2 (0.45) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL21137768 0.78 KDM4E (0.45) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL23666647 0.76 FYN (0.38) ALDH1A1LMNASMN1; SMN2FYNHCAR3

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
CN-112812061-B N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof 苏州恩华生物医药科技有限公司 2022-04-22 CN disclosed
CN-112812061-A N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof 江苏恩华药业股份有限公司 2021-05-18 CN disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US 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-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KDM4E 4200/4885ALDH1A1 2100/4885LMNA 4458/4885

“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.