SCHEMBL1966375

SCHEMBL1966375

O=C(Nc1ccccn1)c1ccc2[nH]c(Nc3c(Cl)cccc3Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 10/20 0.48
NPC1 O15118 8/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
MAPT P10636 1/20 0.45
MCL1 Q07820 1/20 0.45
PKM P14618 2/20 0.43

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
SCHEMBL1974445 0.90 KMT2A (0.50) LCKSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL1972260 0.88 KMT2A (0.57) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL1973501 0.88 GRM5 (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL13393317 0.88 USP2 (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL13393294 0.87 KMT2A (0.47) LCKSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL1969829 0.87 LCK (0.53) LCKSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL16318452 0.86 IRAK4 (0.50) LCKSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL1974207 0.86 NPC1 (0.54) LCKSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL13393168 0.85 KMT2A (0.47) LCKSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL1970648 0.85 KMT2A (0.54) LCKSMN1; SMN2ALDH1A1KDM4ERAB9A

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
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (2 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 LCK 1306/4885SMN1; SMN2 3446/4885ALDH1A1 1202/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 LCK 3854/4885SMN1; SMN2 4785/4885ALDH1A1 2738/4885

“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.