SCHEMBL405508

SCHEMBL405508

CC1CCC[C@H](NC(=O)c2cnn3ccc(NCc4cccnc4)nc23)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.56
RET P07949 1/20 0.50
FYN P06241 5/20 0.47
PIM1 P11309 3/20 0.46
TYK2 P29597 3/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
JAK3 P52333 2/20 0.44
PIM3 Q86V86 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
TGFBR1 P36897 1/20 0.41

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
SCHEMBL10191119 1.00 NTRK1 (0.56) NTRK1RETFYNPIM1TYK2
SCHEMBL405972 0.92 NTRK1 (0.64) NTRK1RETFYNPIM1TYK2
SCHEMBL401722 0.90 NTRK1 (0.64) NTRK1RETFYNPIM1TYK2
SCHEMBL404944 0.90 NTRK1 (0.64) NTRK1RETFYNPIM1TYK2
SCHEMBL402000 0.90 NTRK1 (0.63) NTRK1RETFYNPIM1TYK2
SCHEMBL401949 0.90 NTRK1 (0.63) NTRK1RETFYNPIM1TYK2
SCHEMBL404514 0.90 NTRK1 (0.63) NTRK1RETFYNPIM1TYK2
SCHEMBL404761 0.89 NTRK1 (0.69) NTRK1RETFYNPIM1TYK2
SCHEMBL404930 0.88 NTRK1 (0.55) NTRK1RETFYNPIM1TYK2
SCHEMBL406813 0.85 NTRK1 (0.75) NTRK1RETFYNPIM1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885RET 80/4885FYN 245/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885RET 80/4885FYN 245/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885RET 80/4885FYN 245/4885

“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.