SCHEMBL1428337

SCHEMBL1428337

Cc1cccc(-c2nc(C3CCNCC3)n[nH]2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
HTR2C P28335 6/20 0.39
METAP2 P50579 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP7 Q93009 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
POLB P06746 1/20 0.34
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TGFBR1 P36897 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IGF1R P08069 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
Hydrochloric Acid SCHEMBL15310330 0.99 CCR1 (0.41) CCR1CCR8HTR2CMETAP2MEN1
SCHEMBL13257210 0.87 CCR1 (0.43) CCR1CCR8METAP2TGFBR1
Hydrochloric Acid SCHEMBL3708218 0.86 CCR1 (0.42) CCR1CCR8METAP2TGFBR1
SCHEMBL13257284 0.83 KMT2A (0.44) MEN1KMT2AUSP7POLBSLC18A3
Hydrochloric Acid SCHEMBL3705119 0.82 KMT2A (0.43) HTR2CMEN1KMT2AUSP7POLB
SCHEMBL13257003 0.82 IGF1R (0.35) HTR2CMEN1KMT2APIM1PIM3
SCHEMBL13257126 0.81 HTR2C (0.38) HTR2CMEN1KMT2AUSP7PIM1
Hydrochloric Acid SCHEMBL15310324 0.81 HTR2C (0.36) HTR2CMEN1KMT2APIM1PIM3
Hydrochloric Acid SCHEMBL3711181 0.80 HTR2C (0.40) HTR2CMEN1KMT2AUSP7PIM1
SCHEMBL1137793 0.80 NPC1 (0.53) METAP2MEN1KMT2ASLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9387204-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-12 US disclosed
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-20140088110-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-8592591-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US 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
EP-2176259-B1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AG (DE) 2011-03-30 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
EP-2176259-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-21 EP disclosed
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
WO-2009021990-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 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 (3 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-20140088110-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 CCR1 3843/4885CCR8 3563/4885HTR2C 2543/4885
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 CCR1 3843/4885CCR8 3563/4885HTR2C 2543/4885
US-20130310362-A1 FUSED PYRIMIDINES PIK3CA, MTOR, PIK3CD CCR1 3675/4885CCR8 3400/4885HTR2C 2704/4885

“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.