SCHEMBL19087064

SCHEMBL19087064

CN1CCC(c2cnccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CYP2C9 P11712 1/20 0.40
EPHX2 P34913 1/20 0.40
MAP4K4 O95819 1/20 0.40
NAMPT P43490 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL7920351 1.00 PDCD1LG2 (0.41) PDCD1LG2CD274CYP2C9EPHX2MAP4K4
Oxalic Acid SCHEMBL9459120 0.91 CYP2C9 (0.46) PDCD1LG2CD274CYP2C9EPHX2MAP4K4
SCHEMBL12090384 0.90 MAP4K4 (0.46) CYP2C9EPHX2MAP4K4CHRM2CHRM1
SCHEMBL6232040 0.89 KDM4E (0.38) PDCD1LG2CD274CYP2C9EPHX2MAP4K4
SCHEMBL12049777 0.85 PDE9A (0.37) PDCD1LG2CD274CYP2C9EPHX2MAP4K4
SCHEMBL28072254 0.82 CYP2C9 (0.42) PDCD1LG2CD274CYP2C9EPHX2MAP4K4
SCHEMBL19116698 0.80 CD274 (0.47) PDCD1LG2CD274CYP2C9EPHX2MAP4K4
SCHEMBL13123169 0.79 CYP2C9 (0.40) PDCD1LG2CD274CYP2C9EPHX2MAP4K4
SCHEMBL19077886 0.79 CYP2C9 (0.41) PDCD1LG2CD274CYP2C9EPHX2MAP4K4
SCHEMBL2076284 0.76 HSD11B1 (0.46) PDCD1LG2CD274CHRM2CHRM1CHRM3

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 4 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
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 EP disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
CN-1208349-A Composition for treating pain LILLY CO ELI (US) 1999-02-17 CN 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 PDCD1LG2 848/4885CD274 1424/4885CYP2C9 2007/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB PDCD1LG2 848/4885CD274 1424/4885CYP2C9 2007/4885

“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.