SCHEMBL4082558

SCHEMBL4082558

COc1cccc(-c2cnc(N)nc2NCCCN2CC=CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
CYP1A2 P05177 5/20 0.49
CYP3A4 P08684 5/20 0.49
CYP2D6 P10635 5/20 0.49
LMNA P02545 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
HIF1A Q16665 1/20 0.49
FGFR1 P11362 2/20 0.44
PDGFRB P09619 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
BTK Q06187 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL4106556 0.98 ADORA2A (0.49) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL4078662 0.90 CYP1A2 (0.54) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL4113283 0.89 CYP1A2 (0.53) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL4112327 0.89 ADORA2A (0.47) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL4107360 0.88 CYP1A2 (0.52) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL4078984 0.88 ADORA1 (0.47) ADORA1FGFR1IRAK4ALDH1A1MAPT
SCHEMBL4100511 0.87 CYP1A2 (0.52) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL4107291 0.87 CYP1A2 (0.52) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL4106545 0.87 ADORA2A (0.46) ADORA2AADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL4112210 0.86 IRAK4 (0.47) ADORA1FGFR1IRAK4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US claimed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 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
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 ADORA2A 341/4885ADORA1 303/4885CYP1A2 3383/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ADORA2A 341/4885ADORA1 303/4885CYP1A2 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.