SCHEMBL8533579

SCHEMBL8533579

Clc1cc2ncnc-2[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PRKX P51817 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PKN2 Q16513 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ STK17A Q9UEE5 1/20 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
SCHEMBL16794624 0.76 IDO1 (0.31) IDO1
SCHEMBL13837121 0.74 ASIC3 (0.39) IDO1DYRK1AKMT2AKMO
SCHEMBL13737899 0.66 PIN1 (0.51) PIM1
SCHEMBL29362006 0.64 IDO1 (0.37) IDO1PIM1KMT2A
SCHEMBL24828275 0.59 — —
SCHEMBL28154457 0.59 — —
SCHEMBL11399657 0.59 — —
SCHEMBL8174055 0.59 — —
SCHEMBL12778661 0.59 — —
SCHEMBL1781026 0.56 CDC7 (0.39) CDC7DAPK3MAP4K4PIM1PRKACA

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
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 — — CN disclosed
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
CN-103228654-A Imidazo [1,2-b] pyridazine and imidazo [4,5-b] pyridine derivatives as JAK inhibitors ALMIRALL SA 2013-07-31 — — CN 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
US-4766130-A 2-phenyl-imidazopyridin-ones and also useful as cardiotonics and anti-hypertensives CELAMERCK GMBH & CO. KG (DE) 1988-08-23 — — US disclosed
US-4670438-A Imidazo[4,5-c]pyridazine-3-ones, imidazo[4,5-d]pyridazine-4-ones, imidazo[4,]pyrazin-5-ones, purin-2-ones, purin-6-ones, and purin-2,6-diones useful as hypotensive or cardiotonic agents DR. KARL THOMAE GMBH (DE) 1987-06-02 — — 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-20130309200-A1 IMIDAZO [1,2-B] PYRIDAZINE AND IMIDAZO [4,5-B] PYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 IDO1 304/4885CDC7 758/4885DAPK3 558/4885

“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.

Send feedback