Sugi Predict

Sugi Predict / Compounds / SCHEMBL194388

SCHEMBL194388

SCHEMBL194388

[C]1=Nc2cccc3cccc(c23)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK6 P43250 1/20 0.48
▸ GAA P10253 12/20 0.46
▸ MAPT P10636 9/20 0.46
▸ MCL1 Q07820 3/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ KMT2A Q03164 11/20 0.42
▸ MEN1 O00255 10/20 0.42
▸ LMNA P02545 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL2514534 0.69 LMNA (0.31) GAAMAPTLMNA
SCHEMBL18203882 0.69 MEN1 (0.52) GRK6GAAMAPTMCL1NPC1
SCHEMBL315396 0.67 GAA (0.62) GRK6GAAMAPTMCL1NPC1
Hydrochloric Acid SCHEMBL8649799 0.65 GAA (0.61) GRK6GAAMAPTMCL1NPC1
Bromide SCHEMBL9555445 0.65 GAA (0.61) GRK6GAAMAPTMCL1NPC1
SCHEMBL7957878 0.65 GRK6 (0.46) GRK6GAAMAPTMCL1NPC1
SCHEMBL29889036 0.65 GRK6 (0.50) GRK6GAAMAPTMCL1NPC1
SCHEMBL29778809 0.65 GRK6 (1.00) GRK6GAAMAPTMCL1NPC1
SCHEMBL15018298 0.65 KMT2A (0.77) GRK6GAAMAPTMCL1NPC1
SCHEMBL8112 0.65 GRK6 (1.00) GRK6GAAMAPTMCL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 — — EP claimed
US-8652752-B2 Sulphonium salt initiators BASF SE (DE) 2014-02-18 — — US claimed
EP-2197840-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-11-06 — — EP claimed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 — — US claimed
US-20100297540-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-11-25 — — US claimed
EP-2197872-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Novartis Ag (CH) 2010-06-23 — — EP claimed
EP-2197869-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-06-23 — — EP claimed
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-20090318445-A1 PDF INHIBITORS NORVARTIS AG (CH) 2009-12-24 — — US claimed
WO-2009027475-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2009-03-05 — — WO 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
CN-101346370-A PDF inhibitors NOVARTIS AG (CH) 2009-01-14 — — CN claimed
EP-1973898-A1 PDF INHIBITORS Novartis AG (CH) 2008-10-01 — — EP claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 — — EP claimed
WO-2007077186-A1 PDF INHIBITORS NOVARTIS AG (CH) 2007-07-12 — — WO claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 — — 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-4757151-A Pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-07-12 — — US claimed
EP-0224151-A2 2-Substituted-[2-substituted-amino]-N-aralkyl-3-[indol-3-yl]propanamides WARNER-LAMBERT COMPANY (US) 1987-06-03 — — EP claimed

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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 GRK6 1188/4885GAA 308/4885MAPT 772/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 GRK6 1339/4885GAA 360/4885MAPT 810/4885
US-20100297540-A1 SULPHONIUM SALT INITIATORS SULT1A1, SULT2A1, NCOA1 GRK6 1811/4885GAA 3917/4885MAPT 1627/4885
US-20090318445-A1 PDF INHIBITORS PDF, TIMP3, MMP2 GRK6 4527/4885GAA 496/4885MAPT 3046/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 GRK6 824/4885GAA 440/4885MAPT 717/4885

“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.