SCHEMBL5762402

SCHEMBL5762402

c1ccc2c(c1)CCCN2c1ccnc(Nc2ccsn2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.57
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MKNK1 Q9BUB5 5/20 0.47
MKNK2 Q9HBH9 5/20 0.47
NUDT1 P36639 1/20 0.44
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK6 Q00534 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36

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
SCHEMBL5750076 0.79 ROCK1 (0.67) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL4659590 0.75 ROCK1 (0.56) ROCK1MAPK8MAPK9MKNK1MKNK2
Hydrochloric Acid SCHEMBL4247394 0.74 ROCK1 (0.55) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL5759581 0.74 ROCK1 (0.55) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL12813011 0.74 ROCK1 (0.63) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL21651043 0.74 ROCK1 (0.54) ROCK1MAPK8MAPK9MKNK1MKNK2
Hydrochloric Acid SCHEMBL1090628 0.73 ROCK1 (0.62) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL12968733 0.73 ROCK1 (1.00) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL6761496 0.72 ROCK1 (0.72) ROCK1MAPK8MAPK9MKNK1MKNK2
SCHEMBL20684589 0.72 ROCK1 (0.52) ROCK1MAPK8MAPK9MKNK1MKNK2

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 10 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
EP-1242403-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS Pfizer Products Inc. (US) 2002-09-25 EP claimed
WO-2001040215-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO 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
EP-1242403-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS Pfizer Products Inc. (US) 2002-09-25 EP disclosed
WO-2001040215-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO 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 ROCK1 3328/4885MAPK8 2651/4885MAPK9 2609/4885

“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.