Sugi Predict

Sugi Predict / Compounds / SCHEMBL8512752

SCHEMBL8512752

SCHEMBL8512752

Cc1cc2ncc(-c3ccc[nH]c3=O)n2nc1N[C@@H](C)c1ccc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.39
▸ JAK2 O60674 12/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ NTRK1 P04629 5/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ MUSK O15146 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ RET P07949 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ STAT5B P51692 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALK Q9UM73 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ AURKA O14965 1/20 0.34

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
SCHEMBL9903803 0.89 JAK3 (0.38) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL9902199 0.89 ATR (0.35) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL9902207 0.89 ATR (0.35) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL9905667 0.84 NTRK1 (0.44) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL9903343 0.84 NTRK1 (0.44) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL9903902 0.84 NTRK1 (0.44) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL9903637 0.81 SOS1 (0.39) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL9903898 0.80 NTRK1 (0.39) JAK3JAK2NTRK1CDK2AURKB
SCHEMBL8531250 0.77 JAK2 (0.35) JAK3JAK2JAK1NTRK1CDK2
SCHEMBL8531256 0.77 JAK2 (0.35) JAK3JAK2JAK1NTRK1CDK2

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 8 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-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 JAK3 3/4885JAK2 2/4885JAK1 1/4885

“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.