SCHEMBL29675636

SCHEMBL29675636

NC(=O)CCn1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.44
PDK2 Q15119 4/20 0.42
RAB9A P51151 1/20 0.39
NQO2 P16083 1/20 0.39
HPGDS O60760 3/20 0.38
SCN2A Q99250 1/20 0.38
COMT P21964 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MAP4K4 O95819 1/20 0.35
TGFBR1 P36897 1/20 0.35
RORC P51449 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL19066035 1.00 NPY5R (0.44) NPY5RPDK2RAB9ANQO2HPGDS
SCHEMBL19065269 0.92 PDK2 (0.46) NPY5RPDK2HPGDSSCN2ACOMT
SCHEMBL19065720 0.90 NPY5R (0.45) NPY5RPDK2RAB9ANQO2HPGDS
SCHEMBL19065430 0.88 PDK2 (0.42) NPY5RPDK2HPGDSSCN2ACYP4F2
Trifluoroacetic Acid SCHEMBL29676048 0.87 PDK2 (0.49) NPY5RPDK2SCN2ADGAT1
Trifluoroacetic Acid SCHEMBL19065513 0.87 PDK2 (0.49) NPY5RPDK2SCN2ADGAT1
SCHEMBL19065377 0.86 ALDH1A1 (0.41) NPY5RPDK2CYP4F2CYP4A11MAP4K4
Trifluoroacetic Acid SCHEMBL29675566 0.85 NPY5R (0.41) NPY5RPDK2RAB9ANQO2SCN2A
Trifluoroacetic Acid SCHEMBL19065548 0.85 NPY5R (0.41) NPY5RPDK2RAB9ANQO2SCN2A
SCHEMBL19066083 0.85 NPY5R (0.48) NPY5RHPGDSSCN2AMAP4K4TGFBR1

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-11952367-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2024-04-09 US disclosed
US-20220227736-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2022-07-21 US disclosed
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 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-20220227736-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB NPY5R 4040/4885PDK2 163/4885RAB9A 895/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB NPY5R 4040/4885PDK2 163/4885RAB9A 895/4885
US-11952367-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB NPY5R 4040/4885PDK2 163/4885RAB9A 895/4885

“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.