SCHEMBL22052040

SCHEMBL22052040

Cc1nc2ccc(Br)c(F)c2n1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
DPP4 P27487 1/20 0.38
CYP11B2 P19099 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ACSS2 Q9NR19 1/20 0.34
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
PRPS1 P60891 1/20 0.33
MAPT P10636 2/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 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
SCHEMBL15004740 0.79 DPP4 (0.40) DPP4CYP11B2KDM4EALDH1A1LMNA
SCHEMBL25157447 0.78 ACACB (0.39) ACACBCYP11B2DYRK1A
SCHEMBL30349372 0.78 ACACB (0.39) ACACBCYP11B2DYRK1A
SCHEMBL22041232 0.76 DPP4 (0.36) ACACBDPP4CYP11B2KDM4EALDH1A1
SCHEMBL22152219 0.71 ACACB (0.37) ACACBPRPS1
SCHEMBL18133624 0.71 DPP4 (0.42) DPP4CYP11B2KDM4EALDH1A1LMNA
SCHEMBL22156336 0.70 ACSS2 (0.35) ACACBACSS2CDK9DYRK1A
SCHEMBL4725201 0.70 PDE10A (0.44) DPP4CYP11B2KDM4EALDH1A1LMNA
SCHEMBL13541836 0.69 DPP4 (0.41) DPP4KDM4EALDH1A1LMNACDK9
SCHEMBL13137285 0.69 DPP4 (0.41) DPP4DYRK1APRPS1

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-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ACACB 2158/4885DPP4 3765/4885CYP11B2 3385/4885

“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.