SCHEMBL400689

SCHEMBL400689

CN(c1ccn2ncc(C(=O)NC3CCCCC3)c2n1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
JAK2 O60674 6/20 0.51
IRAK4 Q9NWZ3 2/20 0.49
HPGD P15428 2/20 0.48
TGFBR1 P36897 2/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FLT3 P36888 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL402151 0.93 NTRK1 (0.60) NTRK1ALDH1A1KDM4EPOLBJAK2
SCHEMBL17387394 0.93 NTRK1 (0.50) NTRK1ALDH1A1KDM4EPOLBJAK2
SCHEMBL401792 0.89 NTRK1 (0.49) NTRK1ALDH1A1KDM4EPOLBJAK2
SCHEMBL405723 0.86 NTRK1 (0.55) NTRK1ALDH1A1KDM4EPOLBJAK2
SCHEMBL401999 0.81 NTRK1 (0.51) NTRK1ALDH1A1KDM4EPOLBJAK2
SCHEMBL401948 0.81 NTRK1 (0.51) NTRK1ALDH1A1KDM4EPOLBJAK2
SCHEMBL404513 0.81 NTRK1 (0.51) NTRK1ALDH1A1KDM4EPOLBJAK2
SCHEMBL21997192 0.81 SMPD3 (0.43) NTRK1KDM4EJAK2IRAK4TGFBR1
SCHEMBL401721 0.80 NTRK1 (0.51) NTRK1ALDH1A1KDM4EPOLBJAK2
SCHEMBL405971 0.80 NTRK1 (0.51) NTRK1KDM4EJAK2TGFBR1HSD17B10

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-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP 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 (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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885ALDH1A1 1236/4885KDM4E 1299/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885ALDH1A1 1236/4885KDM4E 1299/4885

“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.