SCHEMBL3506902

SCHEMBL3506902

COc1cccc(-c2nc(C)co2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.57
NOTUM Q6P988 2/20 0.56
NPC1 O15118 9/20 0.55
RAB9A P51151 9/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 4/20 0.55
KDM4E B2RXH2 3/20 0.55
TP53 P04637 4/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
F2 P00734 1/20 0.48

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
SCHEMBL18834078 0.83 TP53 (0.55) PDE4BNOTUMRAB9ASMN1; SMN2ALDH1A1
SCHEMBL3505296 0.83 NOTUM (0.52) PDE4BNOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL6483913 0.82 KDM4E (0.54) PDE4BNOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL13291061 0.81 ENPP3 (0.62) PDE4BNOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL6483646 0.80 NOTUM (0.52) PDE4BNOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL12266902 0.80 RAB9A (0.51) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28289469 0.80 ENPP3 (0.59) PDE4BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5015948 0.79 KDM4E (0.54) PDE4BNOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL1051719 0.79 NOTUM (0.51) PDE4BNOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL5186489 0.79 MAOB (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
CN-107082782-B Substituted xanthines and methods of use thereof 海德拉生物科学有限责任公司 2020-03-20 CN disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 US disclosed
WO-2014143799-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 WO disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 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 (9 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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 PDE4B 1997/4885NOTUM 4206/4885NPC1 3794/4885
US-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PDE4B 583/4885NOTUM 3036/4885NPC1 988/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4B 583/4885NOTUM 3036/4885NPC1 988/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4B 583/4885NOTUM 3036/4885NPC1 988/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4B 583/4885NOTUM 3036/4885NPC1 988/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4B 583/4885NOTUM 3036/4885NPC1 988/4885
US-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PDE4B 583/4885NOTUM 3036/4885NPC1 988/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PDE4B 583/4885NOTUM 3036/4885NPC1 988/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE4B 583/4885NOTUM 3036/4885NPC1 988/4885

“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.