SCHEMBL16009359

SCHEMBL16009359

Cc1cc(Nc2cccc(N3CCN(C)CC3)c2)nn2ccnc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.49
PTK2 Q05397 17/20 0.49
JAK3 P52333 16/20 0.49
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
FLT3 P36888 1/20 0.46
EGFR P00533 1/20 0.46
JAK1 P23458 2/20 0.46
ABCB1 P08183 1/20 0.46
CYP3A4 P08684 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
SCHEMBL16009806 0.88 JAK2 (0.49) JAK2PTK2JAK3CDK2EGFR
SCHEMBL17968675 0.82 JAK2 (0.48) JAK2PTK2JAK3CDK2CYP3A4
SCHEMBL16009357 0.77 JAK2 (0.47) JAK2PTK2JAK3CCNE1CDK2
SCHEMBL7467387 0.74 CDK2 (0.64) JAK2PTK2JAK3CCNE1CDK2
SCHEMBL2640495 0.70 JAK2 (0.69) JAK2PTK2JAK3JAK1ABCB1
SCHEMBL26176201 0.69 CDK2 (0.56) JAK2PTK2JAK3CCNE1CDK2
SCHEMBL30399350 0.69 CDK2 (0.56) JAK2PTK2JAK3CCNE1CDK2
SCHEMBL20272450 0.67 L3MBTL1 (0.39)
SCHEMBL2378486 0.67 ADRA2C (0.61) JAK2PTK2JAK3CDK2
SCHEMBL20242345 0.67 JAK2 (0.53) JAK2PTK2JAK3CCNE1CDK2

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 320/4885PTK2 222/4885JAK3 367/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 JAK2 320/4885PTK2 222/4885JAK3 367/4885

“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.