SCHEMBL2794875

SCHEMBL2794875

Cc1nc(Cc2c[nH]c3ccccc23)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 3/20 0.56
MAPT P10636 2/20 0.56
AHR P35869 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTT P42858 1/20 0.47
HTR6 P50406 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL9219681 0.78 GPR84 (0.61) GPR84MEN1KMT2ACYP3A4MAPT
Arundine SCHEMBL325162 0.74 MEN1 (1.00) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL2793555 0.74 GPR84 (0.59) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL16431196 0.73 GPR84 (0.69) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL20204745 0.72 GPR84 (0.57) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL21366323 0.72 GPR84 (0.54) GPR84MEN1KMT2ACYP3A4MAPT
Arundine SCHEMBL28335217 0.72 MEN1 (0.95) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL12559876 0.72 GPR84 (0.61) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL31744758 0.71 GPR84 (0.65) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL735576 0.71 GPR84 (0.65) GPR84MEN1KMT2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940787-A4 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INST MEDICAL RES (US) 2009-07-01 EP claimed
EP-1940787-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF Lankenau Institute for Medical Research (US) 2008-07-09 EP claimed
US-20070105907-A1 Novel IDO inhibitors and methods of use thereof LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-05-10 US claimed
WO-2007050963-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2007-05-03 WO claimed
US-20100166881-A1 Novel IDO Inhibitors and Methods of Use Thereof PRENDERGAST GEORGE C 2010-07-01 US disclosed
US-7705022-B2 N-[2-(Indol-3-yl)ethyl]-S-methyl-dithiocarbamate; N-[2-(benzo[b]thiophen-3-yl)ethyl]-S-methyl-dithiocarbamate; N-[2-(indol-3-yl)ethyl]-S[(naphth-2-yl)methyl]-dithiocarbamate; anticarcinogenic agents; free of brassinin LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2010-04-27 US disclosed
EP-1940787-A4 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INST MEDICAL RES (US) 2009-07-01 EP disclosed
EP-1940787-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF Lankenau Institute for Medical Research (US) 2008-07-09 EP disclosed
US-20070105907-A1 Novel IDO inhibitors and methods of use thereof LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-05-10 US disclosed
WO-2007050963-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2007-05-03 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 (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-20100166881-A1 Novel IDO Inhibitors and Methods of Use Thereof IDO1, IDO2, INMT GPR84 2388/4885MEN1 4332/4885KMT2A 845/4885
US-20070105907-A1 Novel IDO inhibitors and methods of use thereof IDO1, IDO2, INMT GPR84 2388/4885MEN1 4332/4885KMT2A 845/4885

“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.