SCHEMBL20204745

SCHEMBL20204745

Cc1cnc(Cc2c[nH]c3ccccc23)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
AHR P35869 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTR1A P08908 3/20 0.48
HTR2A P28223 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
HTR6 P50406 2/20 0.47
CYP2D6 P10635 2/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCHE P06276 1/20 0.45
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 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
SCHEMBL16431196 0.91 GPR84 (0.69) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL9026315 0.83 GPR84 (0.54) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL9219681 0.76 GPR84 (0.61) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL735576 0.75 GPR84 (0.65) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL31744758 0.75 GPR84 (0.65) GPR84MEN1KMT2ACYP3A4MAPT
Arundine SCHEMBL325162 0.75 MEN1 (1.00) GPR84MEN1KMT2ACYP3A4MAPT
Arundine SCHEMBL28335217 0.73 MEN1 (0.95) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL15926013 0.73 CYP1A2 (0.43) MEN1KMT2ACYP3A4TDP1ALDH1A1
SCHEMBL2794875 0.72 GPR84 (0.56) GPR84MEN1KMT2ACYP3A4MAPT
SCHEMBL31222191 0.72 GPR84 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL GPR84 3992/4885MEN1 3690/4885KMT2A 3092/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL GPR84 3992/4885MEN1 3690/4885KMT2A 3092/4885

“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.