SCHEMBL4085131

SCHEMBL4085131

Clc1nccc(NCCCN2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
CYP2D6 P10635 6/20 0.58
CYP1A2 P05177 5/20 0.58
CYP2C19 P33261 5/20 0.58
ALDH1A1 P00352 4/20 0.58
CLK4 Q9HAZ1 3/20 0.58
HSD17B10 Q99714 3/20 0.52
HIF1A Q16665 2/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TLR9 Q9NR96 1/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL15260237 0.92 CYP1A2 (0.67) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL13698127 0.84 ALDH1A1 (0.58) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL14641717 0.82 LMNA (0.51) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL13698056 0.78 KDR (0.59) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL11988213 0.77 DRD2 (0.57) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL427012 0.76 ALDH1A1 (0.58) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL2831921 0.76 ABL1 (0.49) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL3322382 0.76 KDM4E (0.53) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL22639887 0.76 SIGMAR1 (0.55) CYP3A4CYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL14068215 0.76 CYP1A2 (0.60) CYP3A4CYP2D6CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
WO-2011115183-A1 NOVEL MONOCYCLIC PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-09-22 WO disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
EP-2054392-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA Boehringer Ingelheim International GmbH (DE) 2009-05-06 EP disclosed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 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 (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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH CYP3A4 3766/4885CYP2D6 3799/4885CYP1A2 3383/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH CYP3A4 3766/4885CYP2D6 3799/4885CYP1A2 3383/4885

“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.