SCHEMBL8511713

SCHEMBL8511713

COc1ncccc1-c1cnc2cc(C)c(Cl)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FYN P06241 3/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
CHRM4 P08173 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
DYRK3 O43781 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37

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
SCHEMBL9902267 0.81 DYRK1A (0.58) AAK1RAB9ANPC1MAPTKDM4E
SCHEMBL9902896 0.81 FGFR1 (0.35) RAB9ANPC1MAPTFYNTP53
SCHEMBL3037991 0.75 HTT (0.52) FYN
SCHEMBL20119955 0.74 FYN (0.63) AAK1FYN
SCHEMBL9903637 0.73 SOS1 (0.39) AAK1RAB9ANPC1FYNPDE1A
SCHEMBL15743428 0.72 PIK3CA (0.43) AAK1FYNADRA2BFGFR3
SCHEMBL20119953 0.71 AAK1 (0.59) AAK1MAPTFYNDYRK3DYRK1A
SCHEMBL15743439 0.71 FYN (0.43) FYNPDE1APDE1BPDE1CDYRK3
SCHEMBL20120145 0.71 AAK1 (0.47) AAK1FYNNTRK1FGFR3
SCHEMBL9902335 0.68 FYN (0.46) AAK1FYNDYRK3CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133200-B2 Imidazo[1,2-b]pyridazine and imidazo[4,5-b]pyridine derivatives as JAK inhibitors ALMIRALL, S.A. (ES) 2015-09-15 US disclosed
US-20130309200-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-11-21 US disclosed
EP-2643321-A1 IMIDAZO [1,2-B]PYRIDAZINE AND IMIDAZO [4,5-B]PYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-10-02 EP disclosed
EP-2463289-A1 Imidazo[1,2-b]pyridazine derivatives as JAK inhibitors Almirall, S.A. (ES) 2012-06-13 EP disclosed
WO-2012069202-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL,S.A. (ES) 2012-05-31 WO 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-20130309200-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 AAK1 249/4885RAB9A 2242/4885NPC1 4388/4885

“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.