SCHEMBL2755243

SCHEMBL2755243

Cc1ccnc(-c2nnc(C3CCNCC3)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
HTR2C P28335 2/20 0.40
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
CARM1 Q86X55 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR1A P08908 1/20 0.36
METAP2 P50579 1/20 0.36
TLR9 Q9NR96 4/20 0.35
TLR8 Q9NR97 4/20 0.35
TLR7 Q9NYK1 4/20 0.35
CDK1 P06493 1/20 0.35
MAPK14 Q16539 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL238932 0.79 PLAT (0.43) CCR1CCR5CCR8SLC6A2SLC6A4
SCHEMBL12375969 0.76 METAP2 (0.39) CDK9METAP2MAPK14MKNK1MKNK2
SCHEMBL2755247 0.75 CCR1 (0.42) CCR1CCR8HTR2CMETAP2TLR9
SCHEMBL2972392 0.75 MAP3K12 (0.44) MAP3K12CCR1CCR5CCR8HTR2C
SCHEMBL14186223 0.75 HTR2C (0.50) MAP3K12CCR1CCR5CCR8HTR2C
Hydrochloric Acid SCHEMBL3709258 0.74 MAP3K12 (0.43) MAP3K12CCR1CCR5CCR8HTR2C
SCHEMBL2755239 0.73 HTR1A (0.45) HTR2CCDK9CCNT1CARM1SLC6A2
SCHEMBL2755244 0.72 HPGDS (0.40) CARM1SLC6A2SLC6A4HTR1AMAPK14
Hydrochloric Acid SCHEMBL239322 0.72 HTR1A (0.44) HTR2CCDK9CCNT1CARM1SLC6A2
SCHEMBL19385297 0.71 HPGDS (0.42) METAP2PLAT

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
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 MAP3K12 152/4885CCR1 4833/4885CCR5 3560/4885

“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.