SCHEMBL558684

SCHEMBL558684

Oc1nc(O)c2cccc(Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.37
BACE1 P56817 2/20 0.37
NQO2 P16083 2/20 0.36
ADORA1 P30542 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.34
HSP90AA1 P07900 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NOS1 P29475 1/20 0.33
AXL P30530 1/20 0.33

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
SCHEMBL5753222 0.81 ENPP3 (0.45) MAPTENPP3ENPP1GAAALDH1A1
SCHEMBL6025148 0.81 MAPT (0.44) MAPTENPP3ENPP1GAAALDH1A1
SCHEMBL17867403 0.79 CYP1A2 (0.47) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL14391599 0.76 CYP1A2 (0.31) CYP1A2
SCHEMBL5756488 0.76 ELANE (0.44) MAPTGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL15845928 0.76 NR4A2 (0.43) MAPTHSP90AA1KDM4ECYP1A2
SCHEMBL24711958 0.73 NQO2 (0.31) NQO2
SCHEMBL27053770 0.73 NQO2 (0.31) NQO2
SCHEMBL2158991 0.72 KDM4E (0.42) MAPTENPP3ENPP1GAAALDH1A1
SCHEMBL18688164 0.72 HPRT1 (0.44) MAPTALDH1A1USP2TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185832-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-16 US disclosed
CN-114206841-A CD73 inhibitor 博奥阿迪斯生物科技公司 2022-03-18 CN disclosed
WO-2020210938-A1 QUINAZOLINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed
WO-2020211668-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed
EP-3354653-B1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO LTD (CN) 2019-09-04 EP disclosed
EP-3354653-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF Guangzhou Maxinovel Pharmaceuticals Co. Ltd. (CN) 2018-08-01 EP disclosed
US-20180208604-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-07-26 US disclosed
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2018-05-10 US disclosed
EP-3287463-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2018-02-28 EP disclosed
US-20180006242-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE COMPRISING SAME, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-01-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
EP-1218358-B1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-09-13 EP disclosed
EP-1218358-A1 THERAPEUTIC QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2002-07-03 EP disclosed
US-6399603-B1 QUINAZOLINES; RETARDING APOPTOSIS IN CELLS; INHIBITING CLEAVAGE OF PROTEIN SUBSTRATES BY CASPASE-3; CHEMICAL AND HYDROLYTIC STABILITY ASTRAZENECA AB (SE) 2002-06-04 US disclosed
WO-2001021598-A1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-03-29 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPT 1800/4885ENPP3 4402/4885ENPP1 4123/4885
US-20180208604-A1 FUSED RING PYRIMIDINE COMPOUND, INTERMEDIATE, AND PREPARATION METHOD, COMPOSITION AND USE THEREOF FLT3, FGFR1, FGFR3 MAPT 283/4885ENPP3 2694/4885ENPP1 1868/4885
US-20180006242-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE COMPRISING SAME, AND DISPLAY DEVICE OR10J3, ODC1, OR51E2 MAPT 1231/4885ENPP3 3177/4885ENPP1 2207/4885
US-20180127420-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF PDK1, WEE1, DCK MAPT 4606/4885ENPP3 4161/4885ENPP1 3252/4885
US-20220185832-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 MAPT 2745/4885ENPP3 11/4885ENPP1 9/4885

“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.