SCHEMBL1670797

SCHEMBL1670797

N#CCc1ccnc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.38
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP3 P08254 2/20 0.36
CSNK2A1 P68400 3/20 0.34
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
IDO1 P14902 1/20 0.33
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
TNF P01375 1/20 0.31
TGFBR1 P36897 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL30834457 1.00 ENPP2 (0.38) ENPP2PARP1KDM4ETDP1MMP3
SCHEMBL29183394 0.81 MEN1 (0.52) PARP1IDO1LOXLOXL2MEN1
SCHEMBL3676475 0.79 ENPP2 (0.40) ENPP2KDM4ETDP1MMP3LOXL2
SCHEMBL16361032 0.78 ATM (0.41) PARP1CSNK2A1MEN1KMT2A
SCHEMBL29841095 0.76 GRM5 (0.46) ENPP2KDM4ETDP1MMP3TGFBR1
SCHEMBL13183449 0.76 ENPP2 (0.38) ENPP2KDM4ETDP1MMP3LOX
SCHEMBL1925278 0.76 GRM5 (0.46) ENPP2KDM4ETDP1MMP3TGFBR1
SCHEMBL9280722 0.76 RECQL (0.57) ENPP2KDM4ETDP1MMP3LOX
SCHEMBL29894545 0.76 LOXL2 (0.57) ENPP2KDM4ETDP1MMP3IDO1
SCHEMBL897832 0.76 LOXL2 (0.57) ENPP2KDM4ETDP1MMP3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228482-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. 2024-07-11 US disclosed
US-11136326-B2 Pyrrolopyrimidine derivatives as TAM inhibitors INCYTE CORPORATION (US) 2021-10-05 US disclosed
US-11136326-B2 Pyrrolopyrimidine derivatives as TAM inhibitors INCYTE CORPORATION (US) 2021-10-05 US disclosed
US-20200181151-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS INCYTE CORPORATION 2020-06-11 US disclosed
US-20200181151-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS INCYTE CORPORATION 2020-06-11 US disclosed
US-20190031663-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS INCYTE CORPORATION 2019-01-31 US disclosed
US-20190031663-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS INCYTE CORPORATION 2019-01-31 US disclosed
US-10053465-B2 Pyrrolopyrimidine derivatives as TAM inhibitors INCYTE CORPORATION (US) 2018-08-21 US disclosed
US-20170057965-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS INCYTE CORPORATION 2017-03-02 US disclosed
US-20170057965-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS INCYTE CORPORATION 2017-03-02 US disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 WO disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 WO disclosed
WO-2011049917-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
WO-2011049917-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
CN-101472921-A Pyridylisoxazole derivative ASKA PHARM CO LTD (JP) 2009-07-01 CN disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 EP disclosed
US-20050107437-A1 comprising pyridylalkynes used as preemergence and postemergence herbicides SYNGENTA CROP PROTECTION, INC. 2005-05-19 US disclosed
EP-1453807-A2 NOVEL HERBICIDES Syngenta Participations AG (CH) 2004-09-08 EP disclosed
WO-2003050087-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-06-19 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 (8 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-20240228482-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER TP53, CASP3, BAX ENPP2 457/4885PARP1 491/4885KDM4E 1620/4885
US-11136326-B2 Pyrrolopyrimidine derivatives as TAM inhibitors FLT3, MERTK, MIF ENPP2 1981/4885PARP1 1006/4885KDM4E 739/4885
US-20190031663-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS FLT3, MERTK, MIF ENPP2 1981/4885PARP1 1006/4885KDM4E 739/4885
US-10053465-B2 Pyrrolopyrimidine derivatives as TAM inhibitors FLT3, MERTK, MIF ENPP2 1981/4885PARP1 1006/4885KDM4E 739/4885
US-20200181151-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS FLT3, MERTK, MIF ENPP2 1981/4885PARP1 1006/4885KDM4E 739/4885
US-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 ENPP2 1255/4885PARP1 2480/4885KDM4E 1377/4885
US-20170057965-A1 PYRROLOPYRIMIDINE DERIVATIVES AS TAM INHIBITORS FLT3, MERTK, MIF ENPP2 1981/4885PARP1 1006/4885KDM4E 739/4885
US-20050107437-A1 comprising pyridylalkynes used as preemergence and postemergence herbicides DDT, CHRM1, CYP4X1 ENPP2 4436/4885PARP1 3091/4885KDM4E 1838/4885

“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.