SCHEMBL406765

SCHEMBL406765

CN(c1ccn2ncc(C(=O)NC3CCCCC3)c2c1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.46
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 2/20 0.41
NTRK1 P04629 3/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
JAK2 O60674 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SPR P35270 2/20 0.39

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
SCHEMBL17387394 0.83 NTRK1 (0.50) ALDH1A1KDM4EPOLBNTRK1HPGD
SCHEMBL406766 0.78 TP53 (0.44) TP53ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL400689 0.76 NTRK1 (0.54) ALDH1A1KDM4EPOLBHSD17B10NTRK1
SCHEMBL19562580 0.76 EPHB3 (0.58) EPHB3TP53ALDH1A1KDM4EHSD17B10
SCHEMBL19562537 0.74 EPHB3 (0.64) EPHB3ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL402151 0.72 NTRK1 (0.60) ALDH1A1KDM4EPOLBNTRK1HPGD
SCHEMBL21247885 0.68 FASN (0.41) EPHB3ALDH1A1NTRK1JAK2
SCHEMBL16474229 0.68 PIM3 (0.61) NTRK1JAK2
SCHEMBL405791 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHSD17B10HPGD
SCHEMBL25158038 0.68 KDM4E (0.51) EPHB3ALDH1A1KDM4EHSD17B10

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 5 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-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 EPHB3 2273/4885TP53 293/4885ALDH1A1 1236/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 EPHB3 2273/4885TP53 293/4885ALDH1A1 1236/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 EPHB3 2273/4885TP53 293/4885ALDH1A1 1236/4885

“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.