SCHEMBL733727

SCHEMBL733727

Nc1cccc(Cl)c1C(=O)Nc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.61
CYP1A2 P05177 3/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HDAC1 Q13547 4/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HDAC3 O15379 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GLA P06280 1/20 0.49
ATM Q13315 1/20 0.49
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.48
CRHBP P24387 1/20 0.48

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
SCHEMBL734996 0.88 NPC1 (0.54) JAK1CYP1A2HPGDCYP2C19NPC1
SCHEMBL735325 0.88 CYP1A2 (0.51) JAK1CYP1A2HPGDCYP2C19NPC1
SCHEMBL734053 0.88 TAS1R3 (0.59) JAK1NPC1RAB9AHDAC1HDAC3
SCHEMBL733959 0.88 JAK1 (0.56) JAK1HPGDNPC1RAB9AHDAC1
SCHEMBL733065 0.85 JAK1 (0.53) JAK1CYP1A2HPGDCYP2C19NPC1
SCHEMBL735276 0.84 HDAC1 (0.55) JAK1NPC1RAB9AHDAC1ALDH1A1
SCHEMBL14991989 0.83 JAK1 (0.75) JAK1HDAC1ALDH1A1HDAC3HDAC2
SCHEMBL28015342 0.81 CYP1A2 (0.74) CYP1A2HPGDCYP2C19NPC1RAB9A
SCHEMBL30726102 0.81 CYP1A2 (0.74) CYP1A2HPGDCYP2C19NPC1RAB9A
SCHEMBL28945955 0.81 CYP1A2 (0.68) CYP1A2HPGDCYP2C19NPC1RAB9A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2020-06-30 US disclosed
EP-3029041-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2020-03-04 EP disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 US disclosed
US-20180360832-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2018-12-20 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
EP-3029041-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS Corporation (US) 2016-06-08 EP disclosed
US-6800620-B2 CONTACTING LEUKOCYTES, OSTEOCLASTS WITH AN ENZYME INHIBITORS, A 9H-PURIN-3H-QUINAZOLIN-4-ONE DERIVATIVES, TREATING BONE-RESORPTION DISORDER, ANTIPROLIFERATIVE AGENTS TREATING LEUKEMIA CELLS ICOS 2004-10-05 US disclosed
EP-1438052-A1 INHIBITORS OF HUMAN PHOSPHATIDYL−INOSITOL 3−KINASE DELTA ICOS CORPORATION (US) 2004-07-21 EP disclosed
US-6667300-B2 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION 2003-12-23 US disclosed
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION 2003-10-16 US disclosed
CN-1440408-A Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORP (US) 2003-09-03 CN disclosed
WO-2003035075-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2003-05-01 WO disclosed
US-6518277-B1 Disrupting leukocyte function ICOS CORPORATION 2003-02-11 US disclosed
EP-1278748-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2003-01-29 EP disclosed
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION, A DELAWARE CORPORATION 2002-10-31 US disclosed
WO-2001081346-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2001-11-01 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 (9 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-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG JAK1 214/4885CYP1A2 3429/4885HPGD 2638/4885
US-20180360832-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG JAK1 214/4885CYP1A2 3429/4885HPGD 2638/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG JAK1 209/4885CYP1A2 2992/4885HPGD 1589/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG JAK1 268/4885CYP1A2 3986/4885HPGD 2546/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG JAK1 214/4885CYP1A2 3429/4885HPGD 2638/4885
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG JAK1 181/4885CYP1A2 3168/4885HPGD 2112/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG JAK1 214/4885CYP1A2 3429/4885HPGD 2638/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG JAK1 214/4885CYP1A2 3429/4885HPGD 2638/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG JAK1 214/4885CYP1A2 3429/4885HPGD 2638/4885

“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.