SCHEMBL14671125

SCHEMBL14671125

CCC1(Nc2nc(N)ncc2C(N)=O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.43
▸ SYK P43405 3/20 0.38
▸ MAPK8 P45983 13/20 0.38
▸ MAPK9 P45984 5/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL14670963 0.99 NNMT (0.43) NNMTSYKMAPK8MAPK9JAK2
SCHEMBL14671115 0.83 MAPK8 (0.43) NNMTSYKMAPK8MAPK9
SCHEMBL14657040 0.83 NNMT (0.41) NNMTSYKJAK2JAK1JAK3
SCHEMBL14657467 0.82 NNMT (0.41) NNMTSYKMAPK8MAPK9JAK2
SCHEMBL14671014 0.79 MAPK8 (0.44) NNMTSYKMAPK8MAPK9
SCHEMBL14657115 0.77 MAPK8 (0.66) MAPK8MAPK9
SCHEMBL14657116 0.77 MAPK8 (0.66) MAPK8MAPK9
SCHEMBL14657896 0.77 MAPK8 (0.69) SYKMAPK8MAPK9
SCHEMBL14657898 0.77 MAPK8 (0.69) SYKMAPK8MAPK9
SCHEMBL14658094 0.76 MAPK8 (0.58) SYKMAPK8MAPK9

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-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 — — 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-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 NNMT 480/4885SYK 2460/4885MAPK8 45/4885

“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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