SCHEMBL5656962

SCHEMBL5656962

CN1CCC(CNc2nc(N)ncc2-c2cccc(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.48
▸ STK4 Q13043 1/20 0.46
▸ STK3 Q13188 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ IRAK1 P51617 9/20 0.45
▸ CHRM3 P20309 5/20 0.45
▸ PTPN11 Q06124 1/20 0.42
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 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 1.00 DHFR (0.48) DHFRSTK4STK3ADORA2AADORA1
SCHEMBL14556190 1.00 DHFR (0.48) DHFRSTK4STK3ADORA2AADORA1
SCHEMBL5654259 0.95 STK4 (0.49) DHFRSTK4STK3ADORA2AADORA1
SCHEMBL4107730 0.94 IRAK1 (0.46) DHFRSTK4STK3ADORA2AADORA1
Hydrochloric Acid SCHEMBL4105397 0.94 STK4 (0.48) DHFRSTK4STK3ADORA2AADORA1
SCHEMBL4117363 0.85 DHFR (0.43) DHFRSTK4STK3ADORA2AADORA1
SCHEMBL4108003 0.82 STK4 (0.53) DHFRSTK4STK3ADORA2AADORA1
SCHEMBL4099702 0.82 DHFR (0.46) DHFRSTK4STK3ADORA2AADORA1
SCHEMBL4100546 0.79 IRAK4 (0.55) DHFRSTK4STK3ADORA2AADORA1
SCHEMBL4101836 0.78 FGFR1 (0.52) 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 1 patent. 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

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 1013/4885STK4 361/4885STK3 487/4885

“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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