SCHEMBL19010342

SCHEMBL19010342

CC(=O)c1nnc(Nc2ccc(CS(C)(=O)=O)cc2)cc1NCc1cccc2ccsc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL17021364 0.92 SYK (0.35) KDRJAK2CSF1R
SCHEMBL2696001 0.82 JAK3 (0.50) JAK2CSF1R
SCHEMBL19010332 0.80 GFER (0.49) JAK2BRD4MAPTTDP1
SCHEMBL19010343 0.80 JAK2 (0.40) JAK2BRD4
SCHEMBL19010360 0.79 JAK3 (0.42) JAK2
SCHEMBL19010335 0.79 FFAR1 (0.41) KDRJAK2
SCHEMBL19010350 0.78 JAK3 (0.39) JAK2MAPT
SCHEMBL19010351 0.78 JAK3 (0.36) JAK2
SCHEMBL19010352 0.76 IRAK4 (0.39) JAK2
SCHEMBL19010366 0.76 JAK3 (0.38) JAK2

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 KDR 1544/4885JAK2 2/4885BRD4 877/4885

“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