SCHEMBL10239256

SCHEMBL10239256

CCNC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
CDK2 P24941 12/20 0.39
MAPK10 P53779 5/20 0.39
MAPK8 P45983 4/20 0.39
MAPK9 P45984 4/20 0.39
JUN P05412 3/20 0.39
CCNA2 P20248 9/20 0.39
CCNK O75909 3/20 0.39
CDK7 P50613 3/20 0.39
CCNH P51946 3/20 0.39
MNAT1 P51948 3/20 0.39
CDK12 Q9NYV4 3/20 0.39
CHEK1 O14757 6/20 0.37
CCNA1 P78396 6/20 0.37
MTOR P42345 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
KIT P10721 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL10235145 0.93 MAPK8 (0.39) DYRK1ACDK2MAPK10MAPK8MAPK9
SCHEMBL10239257 0.93 DYRK1A (0.39) DYRK1ACDK2CCNA2CCNKCDK7
SCHEMBL10239242 0.91 CCNA2 (0.41) DYRK1ACDK2CCNA2CCNKCDK7
SCHEMBL7879290 0.91 CCNA2 (0.39) DYRK1ACDK2CCNA2CCNKCDK7
SCHEMBL10239221 0.90 MAP4K4 (0.40) DYRK1ACDK2MAPK8CCNA2CCNK
SCHEMBL10239248 0.90 CCNA2 (0.38) DYRK1ACDK2MAPK8CCNA2CCNK
SCHEMBL7883416 0.90 CCNA2 (0.39) DYRK1ACDK2CCNA2CCNKCDK7
SCHEMBL10239230 0.89 CCNA2 (0.38) DYRK1ACDK2MAPK10MAPK8MAPK9
SCHEMBL7882822 0.89 CCNA2 (0.38) DYRK1ACDK2CCNA2CCNKCDK7
SCHEMBL10239259 0.89 CCNA2 (0.37) DYRK1ACDK2CCNA2CCNKCDK7

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR DYRK1A 3730/4885CDK2 165/4885MAPK10 552/4885

“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.