SCHEMBL19087054

SCHEMBL19087054

CC(C)c1cncc(NC(=O)c2ccc(C#N)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SCN10A Q9Y5Y9 2/20 0.51
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
XDH P47989 1/20 0.48
MLYCD O95822 1/20 0.47
GRM5 P41594 5/20 0.47
NAMPT P43490 1/20 0.46
ESR1 P03372 1/20 0.45
ROCK2 O75116 1/20 0.45
LRRK2 Q5S007 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SCN2A Q99250 1/20 0.44

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
SCHEMBL19077878 0.86 GRM5 (0.63) NPC1RAB9AGRM5
SCHEMBL19087056 0.83 SCN10A (0.64) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL19077896 0.83 RAB9A (0.59) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL18881088 0.82 NPC1 (0.58) NPC1RAB9AKMT2AALDH1A1NAMPT
SCHEMBL19077895 0.82 NPC1 (0.58) NPC1RAB9AKMT2AALDH1A1NAMPT
SCHEMBL22699670 0.82 MEN1 (0.61) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL19117103 0.80 CYP11B1 (0.59) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL14005489 0.78 CYP19A1 (0.41) CYP11B1CYP11B2NPC1RAB9AALDH1A1
SCHEMBL23015730 0.76 RAB9A (0.73) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL19077869 0.74 GRM5 (0.61) NPC1RAB9AMEN1KMT2AGRM5

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 CYP11B1 1760/4885CYP11B2 2499/4885NPC1 4055/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB CYP11B1 1760/4885CYP11B2 2499/4885NPC1 4055/4885

“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.