SCHEMBL2260028

SCHEMBL2260028

Cc1cn(C(=O)c2cc(Cl)ncn2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 9/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
TFPI2 P48307 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NQO2 P16083 1/20 0.36
HPGD P15428 2/20 0.35
THRB P10828 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 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
SCHEMBL28888037 0.77 L3MBTL1 (0.47) KMT2AALDH1A1MAPTTFPI2KDM4E
SCHEMBL3975404 0.75 CREBBP (0.45) KMT2AALDH1A1MAPTPOLBKDM4E
SCHEMBL2258565 0.75 TSHR (0.51) KMT2ATFPI2L3MBTL1
SCHEMBL3972624 0.72 POLB (0.55) NPSR1KMT2AALDH1A1MAPTPOLB
SCHEMBL3973747 0.72 KMT2A (0.44) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL14301382 0.71 KMT2A (0.61) KMT2AALDH1A1MAPTTFPI2POLB
SCHEMBL27887683 0.70 TFPI2 (0.51) KMT2AALDH1A1MAPTTFPI2POLB
SCHEMBL3993831 0.69 NTRK1 (0.42) KMT2APOLBMEN1
SCHEMBL3973488 0.69 NR4A2 (0.51) KMT2AALDH1A1POLBL3MBTL1
SCHEMBL30622597 0.69 TFPI2 (0.54) KMT2AALDH1A1MAPTTFPI2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225223-A2 ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA NPSR1 43/4885KMT2A 4840/4885ALDH1A1 1405/4885

“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.