SCHEMBL1429258

SCHEMBL1429258

Cn1cc(C=O)c2c(Br)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
IMPDH2 P12268 1/20 0.54
KDR P35968 4/20 0.46
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
PABPC1 P11940 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1093309 0.81 ALDH1A1 (0.56) ALDH1A1IMPDH2KDM4EKMT2AMEN1
SCHEMBL27791426 0.81 CYP2A6 (0.45) ALDH1A1IMPDH2KDRCYP2A6KDM4E
SCHEMBL13574323 0.80 CNR2 (0.48) ALDH1A1IMPDH2CYP2A6HTTLMNA
SCHEMBL1093446 0.79 ALDH1A1 (0.54) ALDH1A1IMPDH2KDRKDM4EKMT2A
SCHEMBL1093965 0.79 ALDH1A1 (0.54) ALDH1A1IMPDH2KDRKDM4EKMT2A
SCHEMBL1451481 0.79 ALDH1A1 (0.54) ALDH1A1IMPDH2KDM4EKMT2AMEN1
SCHEMBL672866 0.79 CYP2A6 (0.41) ALDH1A1IMPDH2KDRCYP2A6KDM4E
SCHEMBL645165 0.78 CYP2A6 (0.40) ALDH1A1IMPDH2CYP2A6KDM4EKMT2A
SCHEMBL1429482 0.78 CYP2A6 (0.40) ALDH1A1IMPDH2CYP2A6KMT2AMEN1
SCHEMBL28501791 0.78 KDM4E (0.40) ALDH1A1IMPDH2KDRCYP2A6KDM4E

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-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN claimed
WO-2023250399-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
CN-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN disclosed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-6831075-B2 Administering to a host for inhibiting kinase activity a 5-heterocylcic subustituted pyrazolone derivative CEPHALON, INC. 2004-12-14 US disclosed
US-20030162775-A1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2003-08-28 US disclosed
CN-1387528-A Heterocyclic substd, pyrazolones CEPHALON INC (US) 2002-12-25 CN disclosed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 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 (3 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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK ALDH1A1 212/4885IMPDH2 425/4885KDR 3412/4885
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 ALDH1A1 2736/4885IMPDH2 1052/4885KDR 1642/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR ALDH1A1 3178/4885IMPDH2 917/4885KDR 1059/4885

“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.