SCHEMBL19010299

SCHEMBL19010299

CC(=O)c1nnc(Nc2ccc(C(=O)N(C)C)c(C)c2)cc1NCc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ RPS6KB1 P23443 4/20 0.38
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ AURKA O14965 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36

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
SCHEMBL17021329 0.92 CDC7 (0.44) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL19010307 0.89 PTK2 (0.41) CLK4SMN1; SMN2FFAR1LMNABRAF
SCHEMBL19010312 0.85 ADORA2B (0.44) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL19010336 0.82 NTRK1 (0.42) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL17021312 0.81 NTRK1 (0.47) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL19010331 0.81 BRAF (0.52) CDK2ROCK2MAP4K4PIM1GSK3B
SCHEMBL19010330 0.80 PTK2 (0.41) FFAR1LMNAJAK3JAK2NTRK1
SCHEMBL19010302 0.79 MAPK10 (0.47) RPS6KB1AURKAJAK3JAK2NTRK1
SCHEMBL19010334 0.79 NTRK1 (0.42) CDK2CDC7ROCK2MAP4K4PIM1
SCHEMBL19010335 0.78 FFAR1 (0.41) CDK2CDC7ROCK2MAP4K4PIM1

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-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 — — 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-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS JAK1, JAK2, JAK3 CDK2 73/4885CDC7 815/4885ROCK2 520/4885

“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.

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