SCHEMBL3262571

SCHEMBL3262571

Cn1cc(C(N)=O)c(-c2cc(Cl)ccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.47
NTRK1 P04629 1/20 0.47
FYN P06241 1/20 0.47
CYP3A4 P08684 1/20 0.47
ROS1 P08922 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 1/20 0.46
LRRK2 Q5S007 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ADRA1D P25100 4/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MMP12 P39900 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL15428638 0.78 DCAF1 (0.54) JAK2JAK1ALDH1A1KDM4EADRA1D
SCHEMBL15428701 0.78 JAK2 (0.45) JAK2JAK1TYK2ALDH1A1KDM4E
SCHEMBL406731 0.77 MMP12 (0.46) JAK2NTRK1FYNCYP3A4ROS1
SCHEMBL26424817 0.74 CA12 (0.53) LRRK2ALDH1A1KDM4EGAAPOLB
SCHEMBL15428611 0.74 JAK2 (0.46) JAK2ALDH1A1KDM4E
SCHEMBL18017490 0.73 CA12 (0.56) ALDH1A1
SCHEMBL1765457 0.72 BCAT2 (0.51) ALDH1A1KDM4EPOLBDCAF1
SCHEMBL30219241 0.72 ALDH1A1 (0.65) JAK2CYP3A4JAK1TYK2ALDH1A1
SCHEMBL1086528 0.72 ALDH1A1 (0.65) JAK2CYP3A4JAK1TYK2ALDH1A1
SCHEMBL15750734 0.72 CA12 (0.55)

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
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 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 (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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885NTRK1 2693/4885FYN 245/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885NTRK1 2693/4885FYN 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.