SCHEMBL397246

SCHEMBL397246

Cc1cc2cc(N)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 1.00
KEAP1 Q14145 1/20 1.00
AXL P30530 1/20 0.55
EGFR P00533 1/20 0.51
LMNA P02545 2/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ROCK2 O75116 1/20 0.44
GAA P10253 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
Hydrochloric Acid SCHEMBL11614276 0.98 CYP2A6 (0.96) CYP2A6KEAP1AXLEGFRLMNA
SCHEMBL10122036 0.84 CYP2A6 (0.72) CYP2A6KEAP1AXLEGFRLMNA
SCHEMBL394630 0.83 CYP2A6 (0.70) CYP2A6KEAP1AXLEGFRLMNA
Ethyl Acetate SCHEMBL27658303 0.81 CYP2A6 (0.66) CYP2A6KEAP1AXLLMNAMAPT
Iodide SCHEMBL7354290 0.81 CYP2A6 (0.68) CYP2A6KEAP1AXLEGFRLMNA
SCHEMBL11086335 0.79 CYP2A6 (0.62) CYP2A6KEAP1AXLEGFRLMNA
SCHEMBL1465847 0.78 CYP2A6 (0.63) CYP2A6KEAP1AXLEGFRMAPT
SCHEMBL75581 0.77 CYP2A6 (0.63) CYP2A6KEAP1AXLMAPTKDM4E
SCHEMBL10172983 0.77 CYP2A6 (0.63) CYP2A6KEAP1LMNAMAPTKDM4E
SCHEMBL6019304 0.77 CYP2A6 (0.63) CYP2A6KEAP1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3878947-A2 MATURATION OF MAMMALIAN HEPATOCYTES Takara Bio Europe AB (SE) 2021-09-15 EP claimed
US-20210189332-A1 MATURATION OF MAMMALIAN HEPATOCYTES TAKARA BIO EUROPE AB (SE) 2021-06-24 US claimed
US-10913932-B2 Maturation of mammalian hepatocytes TAKARA BIO EUROPE AB (SE) 2021-02-09 US claimed
CN-109456216-A A kind of no catalyst is reacted without aromatic amine under the conditions of promotor with the amine that turns of amide derivatives 湘潭大学 2019-03-12 CN claimed
US-20190024044-A1 MATURATION OF MAMMALIAN HEPATOCYTES TAKARA BIO EUROPE AB (SE) 2019-01-24 US claimed
EP-3303566-A2 MATURATION OF MAMMALIAN HEPATOCYTES Takara Bio Europe AB (SE) 2018-04-11 EP claimed
WO-2016193441-A2 MATURATION OF MAMMALIAN HEPATOCYTES TAKARA BIO EUROPE AB (SE) 2016-12-08 WO claimed
US-9486892-B2 Polishing composition FUJIMI INCORPORATED (JP) 2016-11-08 US claimed
CN-102797043-B Medicinal molecular fragment library and construction process thereof Tianli (Tianjin) Technology Co., Ltd. (CN) 2015-11-25 CN claimed
EP-1904439-B1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTHECHNOLOGY CORP (US) 2014-11-26 EP claimed
WO-2008128750-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-10-30 WO claimed
EP-1982976-A1 Process for the manufacture of non-steroidal anti-inflammatory agents and intermediates thereof Intendis GmbH (DE) 2008-10-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP claimed
CN-101036877-A Hydrophobic charge chromatogram abduction medium by obtaining protein from fermentation supernatants liquid directly and the preparing method UNIV TIANJIN (CN) 2007-09-19 CN claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-21 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20020004511-A1 Thiophene derivatives useful as anticancer agents LUZZIO MICHAEL JOSEPH (US) 2002-01-10 US 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 (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-20020004511-A1 Thiophene derivatives useful as anticancer agents CCNA1, CCNE1, TP53 CYP2A6 1392/4885KEAP1 703/4885AXL 3291/4885
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR1 CYP2A6 4192/4885KEAP1 3269/4885AXL 1658/4885

“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.