SCHEMBL20150143

SCHEMBL20150143

COc1c(-c2cnn(C)c2)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
TYK2 P29597 3/20 0.41
BRD4 O60885 1/20 0.41
CDK2 P24941 2/20 0.39
TTK P33981 2/20 0.39
CCNA2 P20248 1/20 0.39
ALK Q9UM73 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
LCK P06239 1/20 0.39
BTK Q06187 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
KEAP1 Q14145 1/20 0.38
PDK2 Q15119 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNE2 O96020 1/20 0.38

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
SCHEMBL26120840 0.85 ERN1 (0.40) ERN1BRD4CDK2ALKLCK
SCHEMBL6374348 0.83 ALDH1A1 (0.54) ERN1BRD4ALDH1A1TDP1LCK
SCHEMBL17785898 0.81 ERN1 (0.44) ERN1BRD4CDK2ALKALDH1A1
SCHEMBL26116260 0.78 ERN1 (0.42) ERN1TYK2BRD4CDK2ALK
SCHEMBL25161887 0.78 TDP1 (0.55) ALDH1A1TDP1NPC1CASP3RAB9A
SCHEMBL16962731 0.77 TTK (0.46) TYK2BRD4CDK2TTKCCNA2
SCHEMBL7803368 0.77 TDP1 (0.62) ALDH1A1TDP1NPC1CASP3RAB9A
SCHEMBL17198730 0.77 BRD4 (0.43) TYK2BRD4CDK2TTKCCNA2
SCHEMBL15690397 0.76 NPC1 (0.41) BRD4ALDH1A1TDP1NPC1CASP3
SCHEMBL15698570 0.76 F2RL3 (0.40) TYK2ALDH1A1TDP1NPC1CASP3

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ERN1 845/4885TYK2 1/4885BRD4 223/4885

“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.