Sugi Predict

Sugi Predict / Compounds / SCHEMBL9902207

SCHEMBL9902207

SCHEMBL9902207

Cc1cc2ncc(-c3ccc[nH]c3=O)n2nc1NC(C)c1ncc(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.35
▸ JAK3 P52333 8/20 0.34
▸ JAK2 O60674 8/20 0.34
▸ NTRK1 P04629 6/20 0.34
▸ ALK Q9UM73 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RET P07949 1/20 0.34
▸ FGR P09769 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ SIK1 P57059 1/20 0.34
▸ PRKCZ Q05513 1/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CG P48736 2/20 0.33

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
SCHEMBL9902199 1.00 ATR (0.35) ATRJAK3JAK2NTRK1ALK
SCHEMBL8512752 0.89 JAK3 (0.39) JAK3JAK2NTRK1ALKKMT2A
SCHEMBL8531256 0.88 JAK2 (0.35) JAK3JAK2NTRK1ALKAURKA
SCHEMBL8531250 0.88 JAK2 (0.35) JAK3JAK2NTRK1ALKAURKA
SCHEMBL9905682 0.83 ALK (0.44) ATRNTRK1ALKCDK2
SCHEMBL9902785 0.83 ALK (0.44) ATRNTRK1ALKCDK2
SCHEMBL9903803 0.78 JAK3 (0.38) JAK3JAK2NTRK1ALKRET
SCHEMBL9903726 0.73 ALK (0.45) NTRK1ALKCDK2
SCHEMBL9903730 0.73 ALK (0.45) NTRK1ALKCDK2
SCHEMBL9905667 0.72 NTRK1 (0.44) JAK3JAK2NTRK1ALKCDK2

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 6 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 claimed
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 claimed
EP-2463289-A1 Imidazo[1,2-b]pyridazine derivatives as JAK inhibitors Almirall, S.A. (ES) 2012-06-13 — — EP claimed
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-2463289-A1 Imidazo[1,2-b]pyridazine derivatives as JAK inhibitors Almirall, S.A. (ES) 2012-06-13 — — EP 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 ATR 1093/4885JAK3 3/4885JAK2 2/4885

“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.