SCHEMBL3975338

SCHEMBL3975338

CN1CCCC1CCNc1nc(N)ncc1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.56
▸ CHRM3 P20309 10/20 0.48
▸ DHFR P00374 1/20 0.46
▸ CAMK2D Q13557 1/20 0.45
▸ IRAK4 Q9NWZ3 2/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ NMT1 P30419 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40

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
SCHEMBL4099702 0.88 DHFR (0.46) ACP1CHRM3DHFRIRAK4ADORA2A
SCHEMBL4107730 0.80 IRAK1 (0.46) DHFRIRAK4ADORA2AADORA1
SCHEMBL4118866 0.79 DHFR (0.50) ACP1DHFRIRAK4ADORA2AADORA1
SCHEMBL5654259 0.79 STK4 (0.49) DHFRIRAK4ADORA2AADORA1
SCHEMBL14556190 0.78 DHFR (0.48) CHRM3DHFRIRAK4ADORA2AADORA1
SCHEMBL4101836 0.78 FGFR1 (0.52) DHFRIRAK4ADORA2AADORA1
SCHEMBL14556155 0.78 DHFR (0.48) CHRM3DHFRIRAK4ADORA2AADORA1
SCHEMBL5656962 0.78 DHFR (0.48) CHRM3DHFRIRAK4ADORA2AADORA1
SCHEMBL4100252 0.78 IRAK4 (0.49) ACP1DHFRIRAK4ADORA2AADORA1
Hydrochloric Acid SCHEMBL4105397 0.78 STK4 (0.48) DHFRIRAK4ADORA2AADORA1

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
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 claimed
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 claimed
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
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 ACP1 831/4885CHRM3 1824/4885DHFR 1013/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH ACP1 831/4885CHRM3 1824/4885DHFR 1013/4885

“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.

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