SCHEMBL20093073

SCHEMBL20093073

COCCCn1ccc(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
APOBEC3G Q9HC16 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.31
TLR7 Q9NYK1 1/20 0.31
FLT3 P36888 1/20 0.31
MPO P05164 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAP3K14 Q99558 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
SCHEMBL16332283 0.89 MPO (0.36) ALDH1A1MPOTDP1
SCHEMBL19001353 0.80 THRB (0.38) ALDH1A1APOBEC3GCYP2C9CYP2C19CYP2D6
SCHEMBL15648579 0.79 ALDH1A1 (0.36) ALDH1A1APOBEC3GTLR7MPOKMT2A
SCHEMBL15150212 0.79 ALDH1A1 (0.41) ALDH1A1APOBEC3GCYP2C9CYP2C19CYP2D6
SCHEMBL27862226 0.76 NPC1 (0.41) ALDH1A1APOBEC3GCYP2C19CYP2D6CYP1A2
SCHEMBL18997768 0.76 HTR4 (0.35) ALDH1A1APOBEC3GCYP2C9CYP2C19CYP2D6
SCHEMBL31637679 0.76 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL30756044 0.75 KDM4E (0.34) ALDH1A1KMT2A
SCHEMBL24181745 0.75
SCHEMBL16816203 0.75 ALDH1A1 (0.34) ALDH1A1APOBEC3GCYP2C9CYP2C19CYP2D6

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885CSNK2A2 48/4885CSNK2B 64/4885

“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.