SCHEMBL20288205

SCHEMBL20288205

Cc1ccnc(C(C)C)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.34
COPS5 Q92905 1/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
DRD1 P21728 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL21567397 0.82 CCR1 (0.34) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL20288404 0.79 NOTUM (0.36) SMN1; SMN2
SCHEMBL12303896 0.79
SCHEMBL11991739 0.77 DRD1 (0.34) SMN1; SMN2DRD1
SCHEMBL17002575 0.75 CCR1 (0.38) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL22489581 0.75 AR (0.41)
SCHEMBL25703635 0.74 AAK1 (0.30)
SCHEMBL22489593 0.74 HPGD (0.40) SMN1; SMN2HRH4NPSR1
SCHEMBL20281650 0.74 CCR1 (0.37) PSMD14COPS5CCR1CCR5CCR8
Ammonia Solution, Strong SCHEMBL28037175 0.74 CCR1 (0.37) PSMD14COPS5CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. 2019-10-24 US disclosed
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2019-07-02 US disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 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 (9 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 PSMD14 2894/4885COPS5 1627/4885CCR1 678/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 PSMD14 3194/4885COPS5 1634/4885CCR1 622/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 PSMD14 897/4885COPS5 2658/4885CCR1 233/4885
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 PSMD14 897/4885COPS5 2658/4885CCR1 233/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR PSMD14 2600/4885COPS5 776/4885CCR1 1271/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PSMD14 2894/4885COPS5 1627/4885CCR1 678/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 PSMD14 897/4885COPS5 2658/4885CCR1 233/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR PSMD14 2600/4885COPS5 776/4885CCR1 1271/4885
US-20190322683-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 PSMD14 897/4885COPS5 2658/4885CCR1 233/4885

“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.