Aniline

Aniline

SCHEMBL5760269

Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccccc2)n1.Nc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.48
ROCK1 Q13464 5/20 0.48
FLT1 P17948 3/20 0.48
JAK2 O60674 3/20 0.48
JAK3 P52333 3/20 0.48
ALK Q9UM73 2/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
NTRK1 P04629 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
MET P08581 1/20 0.48
PDGFRB P09619 1/20 0.48
PIM1 P11309 1/20 0.48

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
SCHEMBL5760381 0.96 KDR (0.51) KDRROCK1FLT1JAK2JAK3
SCHEMBL5759792 0.94 KDR (0.49) KDRROCK1FLT1JAK2JAK3
SCHEMBL5758921 0.87 IDH1 (0.50) KDRROCK1FLT1JAK2JAK3
SCHEMBL5759931 0.86 ROCK1 (0.49) KDRROCK1FLT1JAK2JAK3
SCHEMBL5758463 0.84 KDR (0.55) KDRROCK1FLT1JAK2JAK3
SCHEMBL31681831 0.83 ROCK1 (0.48) KDRROCK1AURKAPIM1FGFR1
SCHEMBL2373964 0.83 ROCK1 (0.48) KDRROCK1AURKAPIM1FGFR1
SCHEMBL5760681 0.82 KDR (0.48) KDRROCK1FLT1JAK2JAK3
SCHEMBL5757460 0.81 ROCK1 (0.47) KDRROCK1FLT1JAK2JAK3
SCHEMBL12231887 0.81 ROCK1 (0.45) KDRROCK1FLT1JAK2JAK3

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-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 US claimed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP claimed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 US claimed
US-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 US disclosed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP disclosed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 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 (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-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 KDR 4735/4885ROCK1 3328/4885FLT1 2776/4885

“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.