SCHEMBL21797154

SCHEMBL21797154

NC(=O)c1nc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)n2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.63
▸ JAK1 P23458 12/20 0.63
▸ TYK2 P29597 2/20 0.48
▸ JAK3 P52333 2/20 0.46
▸ STK10 O94804 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ IRAK1 P51617 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MERTK Q12866 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ Q6ZSR9 Q6ZSR9 1/20 0.43
▸ ADCK1 Q86TW2 1/20 0.43

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
SCHEMBL3777612 0.87 JAK1 (0.66) JAK2JAK1TYK2JAK3STK10
SCHEMBL20338418 0.82 JAK1 (0.75) JAK2JAK1TYK2JAK3STK10
SCHEMBL15655238 0.79 JAK1 (0.66) JAK2JAK1TYK2JAK3
SCHEMBL253852 0.78 JAK2 (1.00) JAK2JAK1TYK2JAK3STK10
SCHEMBL2730240 0.76 NUDT1 (0.62) JAK2JAK1
SCHEMBL15654465 0.72 JAK2 (0.65) JAK2JAK1TYK2JAK3
SCHEMBL18154780 0.72 JAK1 (0.44) JAK2JAK1TYK2JAK3
SCHEMBL15654398 0.71 JAK2 (0.68) JAK2JAK1TYK2JAK3
SCHEMBL15654626 0.71 JAK1 (0.72) JAK2JAK1TYK2JAK3STK10
SCHEMBL19658961 0.70 MAP3K5 (0.57) JAK2JAK1

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-11000528-B2 Compound useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2021-05-11 — — US disclosed
US-20200078365-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2020-03-12 — — 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 (2 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-20200078365-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL6, JAK1, BMP6 JAK2 9/4885JAK1 2/4885TYK2 52/4885
US-11000528-B2 Compound useful for the treatment of degenerative and inflammatory diseases IL6, JAK1, BMP6 JAK2 5/4885JAK1 2/4885TYK2 100/4885

“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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