SCHEMBL16010041

SCHEMBL16010041

Cc1nc2ccc(Nc3ccc(N4CCN(C)CC4)cc3)nn2c1-c1cc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.48
ADRA2C P18825 9/20 0.48
ADRA2B P18089 6/20 0.48
KDM1A O60341 5/20 0.44
GLA P06280 1/20 0.44
SLC2A1 P11166 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FLT3 P36888 6/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL16010469 0.91 JAK2 (0.41) ADRA2AADRA2CADRA2BHTR7HTR6
SCHEMBL16010337 0.87 JAK2 (0.40) FLT3SLC6A2SLC6A4SLC6A3JAK2
SCHEMBL16009788 0.82 JAK2 (0.43) SLC6A2HTR1DSLC6A4SLC6A3JAK2
SCHEMBL16010430 0.79 IGF1R (0.41) FLT3JAK2
SCHEMBL16016962 0.78 S1PR1 (0.43) JAK2
SCHEMBL16009268 0.75 PIK3CD (0.49) JAK2JAK3
SCHEMBL16010500 0.73 PIK3CD (0.43) ADRB2
SCHEMBL16010171 0.72 MKNK1 (0.47) FLT3JAK2JAK3
SCHEMBL16023611 0.72 MKNK1 (0.47) FLT3JAK2JAK3
SCHEMBL3967354 0.72 CCNA2 (0.53) JAK2EGFRJAK3

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 9 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
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-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
WO-2014138692-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-12 WO disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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 ADRA2A 2333/4885ADRA2C 1917/4885ADRA2B 2024/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 ADRA2A 2333/4885ADRA2C 1917/4885ADRA2B 2024/4885

“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.