SCHEMBL3377812

SCHEMBL3377812

c1nc(-c2cnn(C3CCCC3)c2)c2cc[nH]c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.57
JAK1 P23458 12/20 0.57
HDAC6 Q9UBN7 7/20 0.57
JAK3 P52333 5/20 0.57
TYK2 P29597 3/20 0.57
DAPK3 O43293 2/20 0.57
PAK4 O96013 2/20 0.57
ABL1 P00519 2/20 0.57
RET P07949 2/20 0.57
LTK P29376 2/20 0.57
CSNK1A1 P48729 2/20 0.57
CLK2 P49760 2/20 0.57
TNK2 Q07912 2/20 0.57
ROCK1 Q13464 2/20 0.57
DYRK1A Q13627 2/20 0.57
IKBKE Q14164 2/20 0.57
NTRK3 Q16288 2/20 0.57
NTRK2 Q16620 2/20 0.57
LRRK2 Q5S007 2/20 0.57
TAOK1 Q7L7X3 2/20 0.57

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
SCHEMBL3376133 0.99 JAK2 (0.56) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL18522662 0.97 JAK2 (0.54) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL20943726 0.89 JAK2 (0.49) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL29677302 0.88 JAK2 (0.49) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL5148022 0.87 JAK2 (0.48) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL2435332 0.87 JAK2 (0.49) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL100015 0.86 JAK2 (0.54) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL100014 0.86 JAK2 (0.54) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL16691100 0.86 JAK2 (0.49) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL28466379 0.86 JAK2 (0.66) JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 US disclosed
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-23 US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
US-8741912-B2 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
US-20120316186-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-12-13 US disclosed
US-20120316186-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-12-13 US disclosed
WO-2010039939-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2010-04-08 WO disclosed
US-20090227607-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227607-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-04-02 US disclosed
US-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-04-02 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 (4 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-20090088445-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 618/4885
US-20140315931-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 618/4885
US-20090227607-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 618/4885
US-20120316186-A1 DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885HDAC6 618/4885

“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.