SCHEMBL3453191

SCHEMBL3453191

COCc1cnc2ccc(Cl)nn12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.46
DYRK1A Q13627 12/20 0.43
DYRK2 Q92630 12/20 0.43
DYRK1B Q9Y463 11/20 0.43
DYRK3 O43781 9/20 0.43
CDK5 Q00535 7/20 0.43
CDK5R1 Q15078 7/20 0.43
CCNA2 P20248 6/20 0.43
CDK2 P24941 6/20 0.43
CCNT1 O60563 4/20 0.43
CDK9 P50750 4/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MKNK1 Q9BUB5 2/20 0.39

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
SCHEMBL3452648 0.86 TNF (0.43) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL13110756 0.83 TNF (0.49) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL1163165 0.79 DYRK1A (0.49) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL3411320 0.78 ALDH1A1 (0.44) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL16010635 0.78 TNF (0.44) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL16554675 0.77 TNF (0.50) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL31601848 0.75 DYRK1A (0.51) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL23116158 0.75 KDM4E (0.55) TNFALDH1A1KDM4ESMN1; SMN2
SCHEMBL28741961 0.73 TNF (0.47) TNFDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL9216298 0.73 TNF (0.53) TNFDYRK1ADYRK2DYRK1BDYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820670-B2 6-aminoimidazo[1,2-b]pyridazine analogs as rho kinase inhibitors for the treatment of rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2010-10-26 US disclosed
US-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2008-06-26 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 (1 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-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOT2 TNF 2607/4885DYRK1A 639/4885DYRK2 529/4885

“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.