SCHEMBL2363290

SCHEMBL2363290

[c]1nc(-c2ccc(N3CCCC3)cc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.40
ALK Q9UM73 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4712823 0.71 CHKA (0.41) CHKAALKALDH1A1MAPTKDM4E
SCHEMBL31659836 0.71 AURKA (0.41) CHKAALKALDH1A1MAPTKDM4E
SCHEMBL11548897 0.71 ALDH1A1 (0.58) CHKAALDH1A1MAPTKDM4EALOX15
SCHEMBL27584582 0.71 METAP2 (0.42) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL1119940 0.71 METAP2 (0.42) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL1202001 0.71 NOTUM (0.42) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL4047707 0.71 AKT1 (0.42) ALDH1A1MAPTKDM4EL3MBTL1MEN1
SCHEMBL27606211 0.71 METAP2 (0.42) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL63014 0.70 RAB9A (0.41) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL17626280 0.70 DHODH (0.40) CHKAALKALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 US claimed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 EP claimed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 WO claimed
WO-2011095807-A1 COMBINATIONS OF MEK AND HH INHIBITORS ASTRAZENECA AB (SE) 2011-08-11 WO disclosed
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 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-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 CHKA 1174/4885ALK 2795/4885ALDH1A1 1711/4885

“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.