SCHEMBL17021272

SCHEMBL17021272

NC(=O)c1nnc(Nc2ccc(C(=O)N3CCOCC3)cc2)cc1NCc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.59
▸ STAT6 P42226 1/20 0.51
▸ JAK2 O60674 3/20 0.49
▸ JAK1 P23458 3/20 0.49
▸ TYK2 P29597 3/20 0.49
▸ JAK3 P52333 3/20 0.49
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ BTK Q06187 3/20 0.43
▸ F10 P00742 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL17021403 0.92 NTRK1 (0.49) NTRK1STAT6TYK2JAK3F10
SCHEMBL19010321 0.92 NTRK1 (0.59) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL17021282 0.90 NTRK1 (0.51) NTRK1STAT6JAK3
SCHEMBL17021288 0.89 STAT6 (0.63) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL17021422 0.84 GRM5 (0.45) NTRK1STAT6TYK2JAK3HPGD
SCHEMBL17021294 0.84 STAT6 (0.47) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL19010311 0.84 NTRK1 (0.51) NTRK1TYK2HPGDALDH1A1HTT
SCHEMBL17021271 0.83 NTRK1 (0.46) NTRK1STAT6JAK2JAK1TYK2
SCHEMBL19010320 0.83 NTRK1 (0.52) NTRK1ALDH1A1LMNA
SCHEMBL17021311 0.83 MAPK10 (0.52) NTRK1STAT6JAK2JAK1TYK2

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-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
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
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 — — US disclosed
WO-2015123453-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-20 — — 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-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS JAK1, JAK2, JAK3 NTRK1 1410/4885STAT6 8/4885JAK2 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.

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