SCHEMBL6016016

SCHEMBL6016016

c1ccc2[nH]c3ccnc-3cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.58
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
CYP19A1 P11511 1/20 0.49
ITK Q08881 4/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CASP3 P42574 2/20 0.44
KMT2A Q03164 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
CHEK1 O14757 1/20 0.44
KDR P35968 1/20 0.44
CYP1A2 P05177 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
SCHEMBL31537211 1.00 GSK3B (0.58) GSK3BRAB9ANPC1CYP19A1ITK
SCHEMBL693581 0.81 GSK3B (0.59) GSK3BRAB9ANPC1CYP19A1ITK
SCHEMBL29470995 0.79 GSK3B (0.61) GSK3BRAB9ANPC1CYP19A1ITK
SCHEMBL308319 0.79 GSK3B (0.61) GSK3BRAB9ANPC1CYP19A1ITK
SCHEMBL26053444 0.78 GSK3B (0.55) GSK3BRAB9ANPC1CYP19A1ITK
SCHEMBL31269454 0.78 DAO (0.47) GSK3BCYP19A1AURKAKDM4EMAPT
SCHEMBL30289837 0.77 GSK3B (0.55) GSK3BRAB9ANPC1CYP19A1ITK
SCHEMBL31269510 0.77 CDK5 (0.46) GSK3BRAB9ANPC1KDM4EMAPT
SCHEMBL3672721 0.76 RIPK1 (0.54) GSK3BCDK5CDK5R1
SCHEMBL3475042 0.75 KDR (0.56) GSK3BRAB9ANPC1CYP19A1ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN claimed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-11780838-B1 Pyrrolo[3,2-b]quinoline compounds as antibacterial agents King Faisal University (SA) 2023-10-10 US disclosed
US-11780838-B1 Pyrrolo[3,2-b]quinoline compounds as antibacterial agents King Faisal University (SA) 2023-10-10 US disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 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 (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-11780838-B1 Pyrrolo[3,2-b]quinoline compounds as antibacterial agents POLB, TOP2A, POLR2B GSK3B 2058/4885RAB9A 1281/4885NPC1 4547/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 GSK3B 3063/4885RAB9A 3753/4885NPC1 2429/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 GSK3B 3063/4885RAB9A 3753/4885NPC1 2429/4885

“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.