SCHEMBL13695657

SCHEMBL13695657

CCCC(CCC)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.72
JAK1 P23458 11/20 0.72
HDAC6 Q9UBN7 8/20 0.57
JAK3 P52333 7/20 0.57
TYK2 P29597 6/20 0.57
HDAC1 Q13547 6/20 0.57
HDAC3 O15379 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
NCOR2 Q9Y618 2/20 0.57
HDAC9 Q9UKV0 1/20 0.57
RET P07949 3/20 0.55
ROCK1 Q13464 3/20 0.55
DAPK3 O43293 2/20 0.55
PAK4 O96013 2/20 0.55
ABL1 P00519 2/20 0.55
LTK P29376 2/20 0.55
CSNK1A1 P48729 2/20 0.55

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
SCHEMBL4115196 0.95 JAK2 (0.70) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL100431 0.90 JAK2 (0.89) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL171524 0.90 JAK2 (0.89) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL171532 0.90 JAK2 (0.89) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL13695658 0.90 JAK2 (0.69) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL15389311 0.90 JAK2 (0.63) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL100598 0.89 JAK2 (0.67) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL171334 0.89 JAK2 (0.67) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL171130 0.89 JAK2 (0.67) JAK2JAK1HDAC6JAK3TYK2
SCHEMBL13695710 0.89 JAK2 (0.80) JAK2JAK1HDAC6JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254190-B Heteroaryl substituted pyrrolo-[2,3-b] pyridine and pyrrolo-[2,3-b] pyrimidine as Janus inhibitors of kinases 因塞特控股公司 2016-12-07 CN disclosed
CN-103214484-B Pyrrolo-[2,3-b] pyridine replaced as the heteroaryl of Janus inhibitors of kinases and pyrrolo-[2,3-b] pyrimidine 因塞特控股公司 2016-07-06 CN disclosed
CN-103214483-B Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORP 2014-12-17 CN disclosed
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
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
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.