SCHEMBL3714890

SCHEMBL3714890

Clc1ccnc(-c2nc(C3CCNCC3)n[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MKNK1 Q9BUB5 4/20 0.39
MKNK2 Q9HBH9 4/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAP3K12 Q12852 1/20 0.37
PIM1 P11309 1/20 0.37
IKBKB O14920 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 4/20 0.36
CDK9 P50750 3/20 0.35
CCNT1 O60563 2/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
Hydrochloric Acid SCHEMBL3714081 0.99 NPC1 (0.42) MAPK1KMT2ANPC1RAB9AMKNK1
SCHEMBL2972392 0.84 MAP3K12 (0.44) KMT2AMKNK1MKNK2ROCK2ROCK1
Hydrochloric Acid SCHEMBL3709258 0.83 MAP3K12 (0.43) KMT2AMKNK1MKNK2ROCK2ROCK1
SCHEMBL13256982 0.81 TLR8 (0.39) KMT2AMKNK1MKNK2ROCK2ROCK1
SCHEMBL13257225 0.81 MAPK1 (0.47) MAPK1KMT2AMAP3K12HTR6
SCHEMBL2971099 0.81 MEN1 (0.45) KMT2AMKNK1MKNK2MAP3K12PIM1
Hydrochloric Acid SCHEMBL3710328 0.80 MEN1 (0.44) KMT2AMKNK1MKNK2MAP3K12PIM1
Hydrochloric Acid SCHEMBL3716761 0.80 MAPK1 (0.46) MAPK1KMT2AMAP3K12HTR6
Hydrochloric Acid SCHEMBL3712874 0.80 TLR8 (0.39) KMT2AMKNK1MKNK2ROCK2ROCK1
SCHEMBL1429213 0.80 MAPK1 (0.40) MAPK1KMT2ANPC1RAB9AMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-20130310362-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2013-11-21 US disclosed
EP-2396331-B1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER IP GMBH (DE) 2013-10-16 EP disclosed
CN-102317291-A Fused pyrimidines BAYER SCHERING PHARMA AG 2012-01-11 CN disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
WO-2010091824-A1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 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-20130310362-A1 FUSED PYRIMIDINES PIK3CA, MTOR, PIK3CD MAPK1 54/4885KMT2A 3868/4885NPC1 2206/4885

“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.