SCHEMBL1441016

SCHEMBL1441016

CC(C)C(C=O)Nc1ccn2ncc(Br)c2n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 0.35
NTRK3 Q16288 6/20 0.35
NTRK2 Q16620 6/20 0.35
AXL P30530 1/20 0.34
FYN P06241 1/20 0.33

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
SCHEMBL1441011 1.00 NTRK1 (0.35) NTRK1NTRK3NTRK2AXLFYN
SCHEMBL1440944 0.77 CDK2 (0.39) NTRK1NTRK3NTRK2AXLFYN
SCHEMBL1442102 0.77 PIM1 (0.36) NTRK1NTRK3NTRK2AXLFYN
SCHEMBL1442100 0.77 PIM1 (0.36) NTRK1NTRK3NTRK2AXLFYN
SCHEMBL1440946 0.77 CDK2 (0.39) NTRK1NTRK3NTRK2AXLFYN
SCHEMBL23148335 0.75 NTRK1 (0.43) NTRK1NTRK3NTRK2AXL
SCHEMBL23148336 0.75 NTRK1 (0.43) NTRK1NTRK3NTRK2AXL
SCHEMBL20967402 0.74 TGFBR2 (0.49) NTRK1NTRK2AXLFYN
SCHEMBL10276915 0.72 NTRK1 (0.38) NTRK1NTRK3FYN
SCHEMBL1441727 0.72 NTRK1 (0.38) NTRK1NTRK3FYN

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 NTRK1 3204/4885NTRK3 2720/4885NTRK2 3626/4885

“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.