SCHEMBL19087090

SCHEMBL19087090

CC(C)c1cnn(Cc2cccc(C#N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.58
ALK Q9UM73 1/20 0.48
ITK Q08881 5/20 0.47
AURKA O14965 2/20 0.47
KLKB1 P03952 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
GLA P06280 1/20 0.45
TAS2R8 Q9NYW2 2/20 0.44
ERCC5 P28715 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SCD O00767 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL18232748 0.83 CREBBP (0.60) CREBBPALKITKAURKAKLKB1
SCHEMBL19077891 0.83 CYP19A1 (0.51) ITKKLKB1CYP19A1CYP11B1CYP11B2
SCHEMBL19116683 0.82 CREBBP (0.59) CREBBPALKITKAURKAKLKB1
SCHEMBL14699090 0.81 MEN1 (0.59) CREBBPALKITKAURKAKLKB1
SCHEMBL19077889 0.80 ALDH1A1 (0.49) CYP11B1CYP11B2TAS2R8ERCC5ALDH1A1
SCHEMBL25583710 0.79 SCD (0.56) ALKKLKB1SCDMEN1KMT2A
SCHEMBL19077887 0.79 KDM4E (0.51) ALKITKKLKB1CYP11B1CYP11B2
SCHEMBL10141551 0.78 L3MBTL1 (0.59) CREBBPCYP19A1ALDH1A1SCDL3MBTL1
SCHEMBL15652083 0.77 CREBBP (0.57) CREBBPALKITKAURKAKLKB1
SCHEMBL25583760 0.76 CACNA1H (0.53) CYP11B1CYP11B2

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-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 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-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB CREBBP 1949/4885ALK 1055/4885ITK 612/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB CREBBP 1949/4885ALK 1055/4885ITK 612/4885

“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.