SCHEMBL2589049

SCHEMBL2589049

COc1ncc(F)cc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.39
MGLL Q99685 1/20 0.39
GPR6 P46095 1/20 0.38
HTT P42858 2/20 0.38
MAP3K5 Q99683 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
AGBL2 Q5U5Z8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRK1 P41145 1/20 0.36
PTGER4 P35408 3/20 0.36
SCN9A Q15858 1/20 0.35
TSHR P16473 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
PIK3CG P48736 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1881949 0.86 POLB (0.42) POLQMGLLGPR6MAP3K5GPBAR1
SCHEMBL30082715 0.86 POLB (0.42) POLQMGLLGPR6MAP3K5GPBAR1
SCHEMBL1891278 0.84 OPRK1 (0.46) POLQMGLLGPR6MAP3K5ALDH1A1
SCHEMBL1937684 0.84 NNMT (0.46) POLQMGLLGPR6MAP3K5
SCHEMBL1887386 0.84 GPR6 (0.40) POLQMGLLGPR6MAP3K5GPBAR1
SCHEMBL10473552 0.82 GPR6 (0.39) POLQMGLLGPR6HTTMAP3K5
SCHEMBL24992184 0.82 POLQ (0.34) POLQMGLLGPR6MAP3K5GPBAR1
SCHEMBL25281676 0.80 MAPT (0.40) POLQMGLLGPR6HTTMAP3K5
SCHEMBL25226894 0.80 SLC13A5 (0.43) HTTMAP3K5PIK3C3ALDH1A1CYP3A4
SCHEMBL2594687 0.79 GPBAR1 (0.41) POLQMGLLGPR6MAP3K5GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 WO disclosed
WO-2023111181-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2023-06-22 WO disclosed
US-11008337-B2 Chiral diaryl macrocycles as modulators of protein kinases Turning Point Therapeutics, Inc. (US) 2021-05-18 US disclosed
WO-2021027503-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE AND USE THEREOF 罗欣药业(上海)有限公司 2021-02-18 WO disclosed
EP-3317285-B1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-20190284209-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2019-09-19 US disclosed
US-10316044-B2 Chiral diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2019-06-11 US disclosed
US-20180186813-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2018-07-05 US disclosed
US-20180186813-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2018-07-05 US disclosed
WO-2017004342-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS, INC. (US) 2017-01-05 WO disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 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-20180186813-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 POLQ 1938/4885MGLL 1634/4885GPR6 1093/4885
US-20190284209-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 POLQ 1938/4885MGLL 1634/4885GPR6 1093/4885
US-10316044-B2 Chiral diaryl macrocycles as modulators of protein kinases LCK, MAP3K20, MAP3K1 POLQ 1754/4885MGLL 1767/4885GPR6 817/4885
US-11008337-B2 Chiral diaryl macrocycles as modulators of protein kinases LCK, MAP3K20, MAP3K19 POLQ 1797/4885MGLL 1677/4885GPR6 859/4885
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 POLQ 2703/4885MGLL 3690/4885GPR6 1643/4885

“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.