SCHEMBL22648495

SCHEMBL22648495

NC(=O)c1ccc2nccc(C3CCNCC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
TYK2 P29597 3/20 0.45
JAK3 P52333 3/20 0.45
CHEK2 O96017 3/20 0.42
IDO1 P14902 6/20 0.41
CHRNA1 P02708 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
TDO2 P48775 1/20 0.40
TGFBR1 P36897 4/20 0.39
KDR P35968 2/20 0.39
CDC7 O00311 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
Hydrochloric Acid SCHEMBL22635786 0.99 JAK2 (0.44) JAK2JAK1TYK2JAK3CHEK2
SCHEMBL21061140 0.81 IDO1 (0.50) IDO1CHRNA1CYP2C8CYP2C9CYP2C19
SCHEMBL21138139 0.77 IDO1 (0.52) IDO1CYP2C8CYP2C9TDO2
SCHEMBL7964040 0.77 IDO1 (0.56) IDO1CHRNA1CYP2C8CYP2C9CYP2C19
SCHEMBL19297195 0.76 HTR1D (0.45) JAK2JAK1TYK2JAK3CHEK2
SCHEMBL30735531 0.76 HTR1D (0.45) JAK2JAK1TYK2JAK3CHEK2
SCHEMBL21138146 0.76 GPR119 (0.51) JAK2JAK1TYK2JAK3CHEK2
SCHEMBL29050696 0.75 JAK2 (0.44) JAK2JAK1TYK2JAK3CHEK2
SCHEMBL21138142 0.75 IDO1 (0.52) IDO1CHRNA1CYP2C19TDO2IRAK4
SCHEMBL21138046 0.74 IDO1 (0.41) IDO1CHRNA1CYP2C8CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 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 (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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT JAK2 1350/4885JAK1 1543/4885TYK2 1279/4885

“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.