SCHEMBL445195

SCHEMBL445195

COc1cncc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP4B1 P13584 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP2A7 P20853 1/20 0.50
CYP3A7 P24462 1/20 0.50
CYP2F1 P24903 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4F8 P98187 1/20 0.50

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
SCHEMBL16245868 0.84 CYP1A1 (0.70) CYP3A4CYP1A2CYP2C9CYP1A1CYP1B1
SCHEMBL14638214 0.80 DYRK1A (0.60) CYP3A4CYP1A2CYP2C9CYP1A1CYP1B1
SCHEMBL441869 0.80 CYP11B1 (0.46) CYP2A6CYP11B1CYP11B2DYRK1AHDAC8
SCHEMBL212750 0.79 NPC1 (0.61) CYP3A4CYP1A2CYP2C9CYP1A1CYP1B1
SCHEMBL19065550 0.78 KMO (0.49) CYP3A4CYP1A2CYP2C9CYP1A1CYP1B1
SCHEMBL31391008 0.78 NQO2 (0.46) CYP3A4CYP11B1CYP11B2CYP17A1NPC1
SCHEMBL13934821 0.77 NPC1 (0.55) CYP3A4CYP1A2CYP2C9CYP1A1CYP1B1
SCHEMBL19065361 0.75 CYP11B1 (0.55) CYP3A4CYP1A2CYP2C9CYP1A1CYP1B1
SCHEMBL15344161 0.75 CYP2A6 (0.57) CYP3A4CYP1A2CYP2C9CYP1A1CYP1B1
SCHEMBL27116292 0.74 DYRK1A (0.47) CYP3A4CYP1A2CYP2C9CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3792256-B1 PYRIDINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2024-10-23 EP disclosed
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
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
EP-3792256-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2021-03-17 EP disclosed
EP-3792256-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2021-03-17 EP disclosed
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 EP disclosed
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 EP disclosed
EP-3400221-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2018-11-14 EP disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO 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 (5 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 CYP3A4 2619/4885CYP1A2 2540/4885CYP2C9 2007/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB CYP3A4 2619/4885CYP1A2 2540/4885CYP2C9 2007/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB CYP3A4 2619/4885CYP1A2 2540/4885CYP2C9 2007/4885
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS CYP3A4 332/4885CYP1A2 1202/4885CYP2C9 1488/4885
US-11952367-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB CYP3A4 2619/4885CYP1A2 2540/4885CYP2C9 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.