SCHEMBL3256643

SCHEMBL3256643

Cc1cn2ccc3ccccc3c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 6/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 3/20 0.54
TP53 P04637 3/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
KMT2A Q03164 1/20 0.54
RELA Q04206 1/20 0.54
BLM P54132 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 3/20 0.44
IDO1 P14902 1/20 0.43
MAPK1 P28482 2/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL22015496 0.80 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL1384232 0.78 MAPT (0.53) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL14360013 0.78 MAPT (0.53) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL13325835 0.77 ALDH1A1 (0.72) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8182696 0.77 ALDH1A1 (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL18015299 0.77 ALDH1A1 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL22237856 0.76 ALDH1A1 (0.34) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10691127 0.76 CYP1A2 (0.42) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL21289796 0.76 RAB9A (0.37) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10691749 0.76 POLB (0.40) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP claimed
US-7482337-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-27 US claimed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
US-20170117478-A1 ORGANIC LIGHT EMITTING DEVICE SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2017-04-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US disclosed
US-7696212-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2010-04-13 US disclosed
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 US disclosed
US-7482337-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-27 US disclosed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US disclosed
US-4738967-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
US-4686227-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-08-11 US disclosed
EP-0165545-A2 Imidazoisoquinoline compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-27 EP 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 (6 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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 ALDH1A1 198/4885MAPT 772/4885RAB9A 3425/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 ALDH1A1 401/4885MAPT 810/4885RAB9A 3652/4885
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 ALDH1A1 191/4885MAPT 3191/4885RAB9A 1663/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885MAPT 1084/4885RAB9A 2201/4885
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 ALDH1A1 401/4885MAPT 810/4885RAB9A 3652/4885
US-20170117478-A1 ORGANIC LIGHT EMITTING DEVICE CRY2, ELOVL1, LAGE3 ALDH1A1 67/4885MAPT 916/4885RAB9A 2608/4885

“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.