SCHEMBL23317880

SCHEMBL23317880

Fc1cc(F)c(Nc2nc3cnc(NC4CCOCC4)nc3[nH]2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.45
MAPK1 P28482 14/20 0.45
MAPK8 P45983 5/20 0.45
MAPK9 P45984 5/20 0.45
MAPK10 P53779 5/20 0.45
GAK O14976 1/20 0.45
ERN1 O75460 1/20 0.45
EGFR P00533 1/20 0.45
MAPK3 P27361 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
MYLK Q15746 1/20 0.45
SIK3 Q9Y2K2 1/20 0.45
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL23317835 0.95 MAPK1 (0.44) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL23317765 0.92 MAPK1 (0.44) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL22278820 0.91 MAPK8 (0.43) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL23368495 0.89 CTSC (0.40) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL13369321 0.81 MAPK8 (0.55) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL22278822 0.79 ULK1 (0.43) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL22278819 0.77 ULK1 (0.41) MAPK1MAPK8EGFRMAPK3
SCHEMBL19686048 0.76 MAPK1 (0.46) MAPK1MAPK8ERN1MAPK3CDK2
SCHEMBL23050289 0.73 MAPK1 (0.43) MAPK14MAPK1MAPK8MAPK9MAPK10
SCHEMBL22278844 0.72 ULK1 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-05-06 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-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK14 3581/4885MAPK1 2129/4885MAPK8 1613/4885
US-20210128565-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MAPK14 3581/4885MAPK1 2129/4885MAPK8 1613/4885

“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.