SCHEMBL3973670

SCHEMBL3973670

Nc1ncc(-c2cccc(Cl)c2)c(NCC2CCCCN2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.48
▸ CHEK1 O14757 2/20 0.47
▸ ADORA1 P30542 2/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ STK4 Q13043 1/20 0.44
▸ STK3 Q13188 1/20 0.44
▸ KCNH2 Q12809 4/20 0.43
▸ SYK P43405 3/20 0.43
▸ MAOB P27338 2/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ F2 P00734 2/20 0.42
▸ F10 P00742 2/20 0.42
▸ PLAT P00750 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ CCNT1 O60563 2/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL4108003 0.82 STK4 (0.53) DHFRADORA1ADORA2AIRAK4STK4
SCHEMBL4100546 0.81 IRAK4 (0.55) DHFRCHEK1ADORA1ADORA2AIRAK4
SCHEMBL4099702 0.78 DHFR (0.46) DHFRADORA1ADORA2AIRAK4STK4
SCHEMBL5654259 0.77 STK4 (0.49) DHFRADORA1ADORA2AIRAK4STK4
SCHEMBL4100237 0.77 CHEK1 (0.57) DHFRCHEK1ADORA1ADORA2AIRAK4
SCHEMBL4107730 0.77 IRAK1 (0.46) DHFRADORA1ADORA2AIRAK4STK4
Hydrochloric Acid SCHEMBL4105397 0.76 STK4 (0.48) DHFRADORA1ADORA2AIRAK4STK4
SCHEMBL14556155 0.76 DHFR (0.48) DHFRADORA1ADORA2AIRAK4STK4
SCHEMBL14556190 0.76 DHFR (0.48) DHFRADORA1ADORA2AIRAK4STK4
SCHEMBL5656962 0.76 DHFR (0.48) DHFRADORA1ADORA2AIRAK4STK4

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 DHFR 1013/4885CHEK1 1015/4885ADORA1 303/4885

“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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