SCHEMBL1440944

SCHEMBL1440944

CC(C)[C@@H](CO)Nc1ccn2ncc(Br)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.39
CDK5 Q00535 4/20 0.39
DYRK1A Q13627 3/20 0.39
CDK5R1 Q15078 3/20 0.39
CCNA2 P20248 2/20 0.39
CCNA1 P78396 1/20 0.39
NTRK1 P04629 6/20 0.38
NTRK3 Q16288 3/20 0.38
NTRK2 Q16620 3/20 0.38
FYN P06241 5/20 0.37
CDK7 P50613 2/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
CDK1 P06493 2/20 0.36
CDK4 P11802 1/20 0.36
INSRR P14616 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
MAPK3 P27361 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
SCHEMBL1440946 1.00 CDK2 (0.39) CDK2CDK5DYRK1ACDK5R1CCNA2
SCHEMBL1442102 0.87 PIM1 (0.36) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL1442100 0.87 PIM1 (0.36) NTRK1NTRK3NTRK2FYNPIM1
SCHEMBL1441727 0.79 NTRK1 (0.38) NTRK1NTRK3FYNPIM1
SCHEMBL10276915 0.79 NTRK1 (0.38) NTRK1NTRK3FYNPIM1
SCHEMBL1438793 0.79 PIM1 (0.35) NTRK1FYNPIM1
SCHEMBL1438790 0.79 PIM1 (0.35) NTRK1FYNPIM1
SCHEMBL1441016 0.77 NTRK1 (0.35) NTRK1NTRK3NTRK2FYNAXL
SCHEMBL17464332 0.76 PIM1 (0.39) FYNPIM1AXL
SCHEMBL23148335 0.75 NTRK1 (0.43) NTRK1NTRK3NTRK2AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 CDK2 32/4885CDK5 188/4885DYRK1A 2284/4885

“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.