SCHEMBL13445249

SCHEMBL13445249

Cc1ccc(C(=O)NCc2cccc(N(C)C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 2/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
AGTR1 P30556 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
MAPK14 Q16539 2/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
MMP13 P45452 3/20 0.43
MMP2 P08253 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
SCHEMBL29675768 0.80 NPSR1 (0.72) ALDH1A1KDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL4735282 0.75 BCHE (0.46) POLBLMNAKMT2ANPSR1MEN1
SCHEMBL14590053 0.75 NPSR1 (0.47) KDM4EPOLBNPSR1HTR1A
Hydrochloric Acid SCHEMBL4739571 0.74 BCHE (0.45) POLBLMNAKMT2ANPSR1MEN1
SCHEMBL30287914 0.74 RAB9A (0.74) ALDH1A1HTTKDM4EPOLBLMNA
SCHEMBL13102332 0.74 RAB9A (0.74) ALDH1A1HTTKDM4EPOLBLMNA
SCHEMBL11627666 0.72 ADORA2A (0.54) KDM4EPOLBKMT2ASMN1; SMN2NPC1
SCHEMBL13947260 0.70 POLB (0.57) ALDH1A1HTTKDM4ETDP1POLB
Hydrochloric Acid SCHEMBL34473447 0.70 PDE10A (0.38) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL17888458 0.69 RAB9A (0.61) ALDH1A1POLBLMNAKMT2ASMN1; SMN2

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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 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-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK ALDH1A1 3526/4885HTT 4095/4885KDM4E 1357/4885

“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.