SCHEMBL1706695

SCHEMBL1706695

CCCCCc1nc2c(ccc3ccccc32)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
PARP1 P09874 1/20 0.47
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
TLR8 Q9NR97 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1536897 0.93 RAB9A (0.47) RAB9ANPC1ALDH1A1GAAPARP1
SCHEMBL28219999 0.92 RAB9A (0.46) RAB9ANPC1ALDH1A1GAAPARP1
SCHEMBL23092268 0.83 RAB9A (0.60) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL30893646 0.83 RAB9A (0.60) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL11069920 0.80 RAB9A (0.58) RAB9ANPC1ALDH1A1GAAPARP1
Hydrochloric Acid SCHEMBL27147314 0.79 RAB9A (0.63) RAB9ANPC1ALDH1A1GAAPARP1
SCHEMBL8593476 0.78 PARP1 (0.43) PARP1POLB
SCHEMBL8956172 0.76 RAB9A (0.60) RAB9ANPC1ALDH1A1GAAPARP1
SCHEMBL6753968 0.76 POLB (0.47) ALDH1A1GAAPOLB
SCHEMBL6756143 0.76 CBFB (0.41) KMT2APOLB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602084-A Monoazo dyes containing a 4-substituted-2-azo-1,1'-diphenylsulfone component CIBA-GEIGY CORPORATION (US) 1986-07-22 US claimed
US-9120762-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-09-01 US disclosed
US-20140140953-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2014-05-22 US disclosed
US-8642637-B2 Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2014-02-04 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 US disclosed
EP-2441457-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-04-18 EP disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP disclosed
US-20090088371-A1 COMBINATION THERAPY WITH SYK KINASE INHIBITOR RIGEL PHARMACEUTICALS, INC. 2009-04-02 US disclosed
WO-2009029682-A1 COMBINATION THERAPY WITH SYK KINASE INHIBITOR RIGEL PHARMACEUTICALS, INC. (US) 2009-03-05 WO disclosed
US-7241783-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
EP-1349613-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2005-09-21 EP disclosed
US-20040058990-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION 2004-03-25 US disclosed
EP-1349613-A2 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2003-10-08 EP disclosed
WO-2002049413-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-27 WO disclosed
EP-0377463-B1 Silver halide color photographic material FUJI PHOTO FILM CO LTD (JP) 1995-09-13 EP disclosed
EP-0377463-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-07-11 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-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK RAB9A 3467/4885NPC1 3765/4885ALDH1A1 1911/4885
US-20040058990-A1 Thrombopoietin mimetics MPL, THPO, TEK RAB9A 3652/4885NPC1 4710/4885ALDH1A1 1889/4885
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK RAB9A 3467/4885NPC1 3765/4885ALDH1A1 1911/4885
US-20090088371-A1 COMBINATION THERAPY WITH SYK KINASE INHIBITOR MPL, SYK, BTK RAB9A 3040/4885NPC1 3926/4885ALDH1A1 4622/4885
US-20140140953-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK RAB9A 3269/4885NPC1 4311/4885ALDH1A1 2072/4885
US-20120164102-A1 SALTS OF BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION METHOD AND USE THEREOF THPO, MPL, TEK RAB9A 3269/4885NPC1 4311/4885ALDH1A1 2072/4885

“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.