SCHEMBL393300

SCHEMBL393300

CC(C)(C)c1ccc(C(=O)CC#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
RECQL P46063 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALOX15 P16050 1/20 0.51
APEX1 P27695 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HDAC1 Q13547 1/20 0.48
EPHX2 P34913 1/20 0.48
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
SRD5A2 P31213 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL395103 0.84 GSK3B (0.48) RAB9ANPC1MAPTALDH1A1RECQL
SCHEMBL133449 0.81 PTPN1 (0.59) MAPTALDH1A1HDAC1SRD5A2
SCHEMBL135383 0.79 GSK3B (0.55) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL28537498 0.79 KMT2A (0.48) RAB9AMAPTALDH1A1LMNAMAPK1
SCHEMBL450084 0.78 RAB9A (0.85) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL7079689 0.78 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL21652280 0.76 EPHX2 (0.61) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL14918493 0.76 TSHR (0.52) ALDH1A1ALOX15SRD5A2SMN1; SMN2TP53
SCHEMBL11770219 0.76 CYP19A1 (0.57) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL5874076 0.76 RAB9A (0.63) RAB9ANPC1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
CN-110272400-B Synthesis method of 2-trifluoromethyl substituted furan compound and derivative thereof 福州大学 2022-08-23 CN disclosed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
CN-114163384-A Method for synthesizing polysubstituted 5-acyl nicotinonitrile 温州医科大学 2022-03-11 CN disclosed
US-11124489-B2 EPAC antagonists BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-21 US disclosed
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS CAL POLY CORPORATION 2021-04-08 US disclosed
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS CAL POLY CORPORATION 2021-04-08 US disclosed
WO-2021067967-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2021-04-08 WO disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 US disclosed
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2009-04-23 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO 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 (7 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-20090102356-A1 NOVEL ORGANIC COMPOUND HAVING ELECTRON-TRANSPORTING AND/OR HOLE-BLOCKING PERFORMANCE AND ITS USE AND OLEDs COMPRISING THE COMPOUND SLCO4C1, SLCO1B1, SLCO2B1 RAB9A 1865/4885NPC1 118/4885MAPT 670/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 RAB9A 1480/4885NPC1 2456/4885MAPT 494/4885
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS PNPO, NOX3, G6PD RAB9A 1213/4885NPC1 2176/4885MAPT 2641/4885
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD RAB9A 1213/4885NPC1 2176/4885MAPT 2641/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT RAB9A 2462/4885NPC1 1271/4885MAPT 20/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 RAB9A 1480/4885NPC1 2456/4885MAPT 494/4885
US-11124489-B2 EPAC antagonists EPAS1, GPR139, CRACR2A RAB9A 526/4885NPC1 3257/4885MAPT 4650/4885

“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.