SCHEMBL16009804

SCHEMBL16009804

Cc1cn2nc(Nc3ccc(N4CCN(C)CC4)cc3)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.52
JAK3 P52333 3/20 0.52
PTK2 Q05397 2/20 0.52
ADRA2A P08913 6/20 0.49
ADRA2C P18825 6/20 0.49
ADRA2B P18089 4/20 0.49
EGFR P00533 1/20 0.47
KDM1A O60341 2/20 0.47
GLA P06280 1/20 0.45
SLC2A1 P11166 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DNMT1 P26358 1/20 0.45
RAD52 P43351 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
BRD4 O60885 2/20 0.44
FLT3 P36888 1/20 0.44
CCNK O75909 1/20 0.44

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
SCHEMBL16009357 0.86 JAK2 (0.47) JAK2JAK3PTK2EGFRCCNE1
SCHEMBL477172 0.74 KDM4E (0.54) HRH3
SCHEMBL16009806 0.74 JAK2 (0.49) JAK2JAK3PTK2ADRA2AADRA2C
SCHEMBL16010041 0.72 ADRA2A (0.48) JAK2JAK3ADRA2AADRA2CADRA2B
SCHEMBL27020409 0.70 EGFR (0.64) JAK2JAK3ADRA2AADRA2CEGFR
SCHEMBL6968717 0.69 BRD4 (0.61) JAK2JAK3ADRA2AADRA2CADRA2B
SCHEMBL2634851 0.69 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL17260822 0.68 DYRK1A (0.40) JAK2JAK3PTK2ADRA2AADRA2C
SCHEMBL374385 0.68 EGFR (0.64) JAK2JAK3ADRA2AADRA2CEGFR
SCHEMBL4078840 0.67 EGFR (0.60) JAK2JAK3PTK2ADRA2AADRA2C

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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 JAK2 320/4885JAK3 367/4885PTK2 222/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 JAK2 320/4885JAK3 367/4885PTK2 222/4885

“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.