SCHEMBL22017084

SCHEMBL22017084

Cc1nc(C(C)C)c(=O)n(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM5B Q9UGL1 2/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
JAK2 O60674 1/20 0.31
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL26385522 0.85 ALDH1A1 (0.39) KMT2ARXFP1ALDH1A1HPGDKDM4E
SCHEMBL26766993 0.77 ALDH1A1 (0.45) KMT2ARXFP1ALDH1A1HPGDKDM4E
SCHEMBL21954968 0.71 ALDH1A1 (0.43) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL22017506 0.68 PDE2A (0.33) ALDH1A1HPGDKDM4EGLASMN1; SMN2
SCHEMBL22016205 0.67 KDM5A (0.31) KMT2ARXFP1
SCHEMBL2600749 0.67 KMT2A (0.39) KMT2ARXFP1
SCHEMBL10414406 0.67
SCHEMBL13438489 0.67 KDM4E (0.30) ALDH1A1KDM4ELMNA
SCHEMBL22016208 0.67 CHRNB2 (0.35) KMT2ARXFP1KDM5B
SCHEMBL25917975 0.67 KMT2A (0.40) KMT2ARXFP1ALDH1A1HPGDKDM4E

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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
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 (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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KMT2A 4050/4885RXFP1 2998/4885ALDH1A1 823/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 KMT2A 4050/4885RXFP1 2998/4885ALDH1A1 823/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KMT2A 2981/4885RXFP1 3033/4885ALDH1A1 838/4885

“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.