SCHEMBL2946787

SCHEMBL2946787

O=C(NC1CC1)c1ccc(Cl)c(I)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPK14 Q16539 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
CNR2 P34972 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 3/20 0.48
SMYD3 Q9H7B4 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
P2RX7 Q99572 1/20 0.46
ADRA2A P08913 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL5310506 0.95 MEN1 (0.51) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL2085543 0.82 KMT2A (0.56) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL14568525 0.81 MEN1 (0.54) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL5630057 0.81 KMT2A (0.54) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL2974767 0.81 MAPK14 (0.57) KMT2AMAPK14CNR2NPC1RAB9A
SCHEMBL12516596 0.79 MAPT (0.64) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL13544509 0.79 MEN1 (0.53) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL18835454 0.78 MEN1 (0.52) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL22468510 0.78 MAPK14 (0.52) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL29138050 0.78 KMT2A (0.52) KMT2AMEN1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512837-B1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2020-07-22 EP disclosed
EP-3512837-B1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2020-07-22 EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-3512837-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 Boehringer Ingelheim International GmbH (DE) 2019-07-24 EP disclosed
US-10138222-B2 Substituted benzamides as RIPK2 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-27 US disclosed
WO-2018052773-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-22 WO disclosed
WO-2018052773-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-22 WO disclosed
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 US disclosed
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 US disclosed
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 US disclosed
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 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 (4 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 KMT2A 260/4885MEN1 2432/4885MAPT 2034/4885
US-10138222-B2 Substituted benzamides as RIPK2 inhibitors RIPK2, RIPK4, RIPK1 KMT2A 944/4885MEN1 2770/4885MAPT 4376/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 KMT2A 1204/4885MEN1 2987/4885MAPT 4333/4885
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 KMT2A 2563/4885MEN1 2993/4885MAPT 3790/4885

“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.