SCHEMBL4720689

SCHEMBL4720689

CN(C)Cc1c[nH]c2cc(Br)c(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GPR84 Q9NQS5 2/20 0.49
HTR1A P08908 3/20 0.45
CSNK2A1 P68400 1/20 0.43
MPO P05164 3/20 0.42
EGFR P00533 1/20 0.41
SLC6A4 P31645 3/20 0.40
IDO1 P14902 3/20 0.40
HTR2A P28223 7/20 0.38
HTR2C P28335 6/20 0.38
HTR2B P41595 4/20 0.38
HTR3E A5X5Y0 1/20 0.38

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
SCHEMBL29445177 0.87 GPR84 (0.65) KDM4EMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL27517077 0.87 CSNK2A1 (0.56) KDM4EMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL8222885 0.87 GPR84 (0.65) KDM4EMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL21131303 0.83 GPR84 (0.50) KDM4EMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL24143606 0.79 MPO (0.56) KMT2AGPR84HTR1ACSNK2A1MPO
SCHEMBL3475267 0.78 HTR2A (0.59) CYP3A4CYP2D6TSHRKMT2AGPR84
SCHEMBL32677621 0.76 GPR84 (0.50) KMT2AGPR84HTR1ACSNK2A1MPO
SCHEMBL1196112 0.76 HTR1A (0.75) KDM4EMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL4720456 0.75 CSNK2A1 (0.77) KMT2AGPR84HTR1ACSNK2A1MPO
SCHEMBL6031494 0.74 KDM4E (0.60) KDM4EMEN1ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
CN-100378097-C Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
CN-1784397-A Methyl indoles and methyl pyrrolopyridines as alph-1 adrenergic agonists HOFFMANN LA ROCHE (CH) 2006-06-07 CN disclosed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 EP disclosed
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 US disclosed
US-6852860-B2 Method for making piperidone ketals using polyphosphoric acid WEYERHAEUSER COMPANY (US) 2005-02-08 US disclosed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 WO disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 US disclosed
US-20040192920-A1 Method for making piperidone ketals using polyphosphoric acid WEYERHAUSER COMPANY 2004-09-30 US disclosed
EP-1457491-A1 Method for making piperidone ketals using polyphosphoric acid Weyerhaeuser Company (US) 2004-09-15 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 (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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D KDM4E 3362/4885MEN1 1123/4885ALDH1A1 408/4885
US-20040192920-A1 Method for making piperidone ketals using polyphosphoric acid PNKP, DCTPP1, PCBP1 KDM4E 344/4885MEN1 2878/4885ALDH1A1 800/4885

“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.