SCHEMBL2480481

SCHEMBL2480481

CC(C)Nc1ncnc(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.45
HTT P42858 7/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 7/20 0.41
GAA P10253 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL11596041 0.85 RAB9A (0.43) GALR3HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL31029422 0.80 SMN1; SMN2 (0.42) HTTRAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL25057478 0.80 SMN1; SMN2 (0.42) HTTRAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL21138784 0.79 GALR3 (0.56) GALR3RAB9ASMN1; SMN2TP53HSD17B10
SCHEMBL766829 0.78 GALR3 (0.49) GALR3HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL28505552 0.77 SMN1; SMN2 (0.40) HTTRAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL21138493 0.76 EGFR (0.53) GALR3
SCHEMBL31277798 0.75 RAB9A (0.46) GALR3HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL19941773 0.75 RAB9A (0.46) GALR3HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL6078615 0.75 KDM4C (0.40) GALR3HTTRAB9ASMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573586-B Polycyclic compound for inhibiting Bruton tyrosine kinase activity, pharmaceutical composition and application thereof 杭州和正医药有限公司 2023-11-03 CN disclosed
WO-2022171191-A1 COMPOUNDS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2022-08-18 WO disclosed
CN-114573586-A Polycyclic compound for inhibiting Bruton's tyrosine kinase activity, pharmaceutical composition and application thereof 杭州和正医药有限公司 2022-06-03 CN disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed
US-7517888-B2 e.g. cyclopentyl(9-ethyl-8-phenylpurin-6-yl)amine; diuretic; heart failure, chronic renal disease, cirrhosis CV THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
EP-1751159-A2 PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-02-14 EP disclosed
WO-2005105803-A2 PURINE DERIVATIVES AS A1 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-11-10 WO disclosed
US-20050245546-A1 A1 adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-03 US 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 (2 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 GALR3 3864/4885HTT 2623/4885RAB9A 2893/4885
US-20050245546-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 GALR3 639/4885HTT 2440/4885RAB9A 1681/4885

“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.