SCHEMBL5544307

SCHEMBL5544307

Cc1cc(O)cc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.55
CCR8 P51685 4/20 0.55
HSP90AA1 P07900 8/20 0.54
HSP90AB1 P08238 7/20 0.54
PSMD14 O00487 1/20 0.53
COPS5 Q92905 1/20 0.53
CCR5 P51681 3/20 0.49
PRMT5 O14744 1/20 0.47
LMNA P02545 2/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
CHRM1 P11229 1/20 0.47
COMT P21964 1/20 0.47
ADRA1A P35348 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HTT P42858 2/20 0.46
SLC6A2 P23975 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL11808148 0.80 COMT (0.61) CCR1CCR8HSP90AA1HSP90AB1CCR5
SCHEMBL874272 0.80 PSMD14 (0.67) CCR1CCR8HSP90AA1PSMD14COPS5
SCHEMBL12093369 0.78 CCR1 (0.56) CCR1CCR8HSP90AA1PSMD14COPS5
SCHEMBL29956211 0.78 HSP90AA1 (0.51) CCR1CCR8HSP90AA1HSP90AB1PSMD14
SCHEMBL14242732 0.77 HSP90AA1 (0.54) CCR1CCR8HSP90AA1HSP90AB1CCR5
SCHEMBL2938512 0.77 LMNA (0.56) CCR1CCR8HSP90AA1HSP90AB1PSMD14
SCHEMBL3582732 0.77 CCR1 (0.55) CCR1CCR8HSP90AA1PSMD14COPS5
SCHEMBL19001540 0.77 CCR1 (0.55) CCR1CCR8HSP90AA1PSMD14COPS5
SCHEMBL3565423 0.77 ALDH1A1 (0.58) CCR1CCR8HSP90AA1HSP90AB1CCR5
SCHEMBL7441724 0.77 HSP90AA1 (0.54) CCR1CCR8HSP90AA1HSP90AB1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
WO-2023125627-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2023-07-06 WO disclosed
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
EP-3283462-B1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2020-12-02 EP disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
WO-2016168540-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-20 WO disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
WO-2016164675-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-13 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0261539-B1 SUBSTITUTED PHENYL-SULPHON AMIDES BAYER AG (DE) 1991-03-06 EP disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed
US-3956420-A CPOLYOLEFIN COMPOSITION FOR ELECTRICAL INSULATIONFERROCENE, 8-SUBSTITUTED QUINOLINE DAINICHI-NIPPON CABLES, LTD. (JA) 1976-05-11 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CCR1 564/4885CCR8 1018/4885HSP90AA1 2426/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CCR1 1272/4885CCR8 2264/4885HSP90AA1 4078/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CCR1 1088/4885CCR8 2196/4885HSP90AA1 3974/4885

“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.