SCHEMBL22016465

SCHEMBL22016465

Cc1nc(C(C)C)c(C(F)(F)F)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
TLR7 Q9NYK1 3/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
CCNE2 O96020 4/20 0.33
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
NUDT1 P36639 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
ADORA2A P29274 1/20 0.33
PKM P14618 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL21955159 0.75 ALDH1A1 (0.43) GPR3KMT2ATSHRALDH1A1BACE1
SCHEMBL31039520 0.75 GPR3 (0.42) GPR3TLR7KMT2ATSHRCCNE2
SCHEMBL21955306 0.75 GPR3 (0.42) GPR3TLR7KMT2ATSHRCCNE2
SCHEMBL31039554 0.75 ALDH1A1 (0.43) GPR3KMT2ATSHRALDH1A1BACE1
SCHEMBL22016872 0.75 KDM4E (0.39) GPR3TLR7CCNE2CCNE1CDK2
SCHEMBL1538491 0.67 ALDH1A1 (0.45) KMT2ATSHRALDH1A1BACE1CYP1A2
SCHEMBL12141961 0.66 SMN1; SMN2 (0.44) GPR3KMT2AALDH1A1HSD17B10LMNA
SCHEMBL22031394 0.66 KDM4E (0.37) GPR3TLR7CCNE2CCNE1CDK2
SCHEMBL22681209 0.66 HSP90AA1 (0.36) TSHRHPGDHSD17B10LMNA
SCHEMBL20609523 0.66 ADORA2A (0.65) TLR7KMT2ACCNE2CCNE1CDK2

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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (2 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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 GPR3 2044/4885TLR7 596/4885KMT2A 4050/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 GPR3 2044/4885TLR7 596/4885KMT2A 4050/4885

“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.