SCHEMBL22040193

SCHEMBL22040193

CC(C)c1ccc(-c2cnccn2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.46
ALOX5AP P20292 3/20 0.44
FEN1 P39748 3/20 0.44
HDAC4 P56524 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PIM2 Q9P1W9 3/20 0.38
PIM1 P11309 2/20 0.38
PIM3 Q86V86 1/20 0.38
NR1I2 O75469 1/20 0.38
HSD11B1 P28845 1/20 0.38
CHEK1 O14757 1/20 0.36

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
SCHEMBL16640379 0.80 ALOX5AP (0.48) ALOX5APFEN1HDAC4CYP2D6CYP19A1
SCHEMBL2559473 0.79 KMO (0.49) ALOX5APFEN1HDAC4CYP2D6CYP19A1
SCHEMBL30112660 0.78 GRIN2B (0.48) ALOX5APFEN1HDAC4PIK3CAPIK3CD
SCHEMBL12263196 0.76 CYP11B2 (0.51) RPS6KA3CYP19A1CYP11B1CYP11B2
SCHEMBL22053021 0.76 ALOX5AP (0.45) ALOX5APFEN1HDAC4CYP2D6CYP19A1
SCHEMBL21044391 0.76 ALOX5AP (0.51) ALOX5APFEN1HDAC4CYP2D6CYP19A1
SCHEMBL2409087 0.76 PIM1 (0.46) RPS6KA3ALOX5APFEN1CYP2D6CYP19A1
SCHEMBL14570076 0.75 NAAA (0.43) RPS6KA3ALOX5APFEN1
SCHEMBL2560517 0.75 ALOX5AP (0.42) ALOX5APFEN1HDAC4CYP2D6CYP19A1
SCHEMBL30017655 0.75 ALDH1A1 (0.51) ALOX5APFEN1CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 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 (3 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RPS6KA3 548/4885ALOX5AP 3531/4885FEN1 2653/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RPS6KA3 548/4885ALOX5AP 3531/4885FEN1 2653/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RPS6KA3 548/4885ALOX5AP 3531/4885FEN1 2653/4885

“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.