SCHEMBL4107730

SCHEMBL4107730

CN1CCCC(CNc2nc(N)ncc2-c2cccc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 11/20 0.46
▸ DHFR P00374 1/20 0.46
▸ PRKCQ Q04759 5/20 0.46
▸ STK4 Q13043 1/20 0.45
▸ STK3 Q13188 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ PTPN11 Q06124 1/20 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
SCHEMBL14556155 0.94 DHFR (0.48) IRAK1DHFRSTK4STK3ADORA2A
SCHEMBL14556190 0.94 DHFR (0.48) IRAK1DHFRSTK4STK3ADORA2A
SCHEMBL5656962 0.94 DHFR (0.48) IRAK1DHFRSTK4STK3ADORA2A
SCHEMBL5654259 0.89 STK4 (0.49) IRAK1DHFRSTK4STK3ADORA2A
SCHEMBL4117363 0.89 DHFR (0.43) IRAK1DHFRSTK4STK3ADORA2A
Hydrochloric Acid SCHEMBL4105397 0.88 STK4 (0.48) IRAK1DHFRSTK4STK3ADORA2A
SCHEMBL4099702 0.83 DHFR (0.46) IRAK1DHFRSTK4STK3ADORA2A
SCHEMBL4100546 0.82 IRAK4 (0.55) IRAK1DHFRSTK4STK3ADORA2A
SCHEMBL4108003 0.81 STK4 (0.53) IRAK1DHFRSTK4STK3ADORA2A
SCHEMBL3975338 0.80 ACP1 (0.56) DHFRADORA2AADORA1IRAK4

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 4 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
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 IRAK1 1856/4885DHFR 1013/4885PRKCQ 5/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH IRAK1 1856/4885DHFR 1013/4885PRKCQ 5/4885

“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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