SCHEMBL800728

SCHEMBL800728

Cc1ccnc2c1ncn2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.46
YTHDC1 Q96MU7 2/20 0.43
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CDK1 P06493 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
PIK3CG P48736 1/20 0.35

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
SCHEMBL17729177 0.78 CDK1 (0.44) ADORA1ADORA2AYTHDC1KDM4EALDH1A1
SCHEMBL16247699 0.78 ADORA1 (0.44) ADORA1ADORA2AYTHDC1KDM4EALDH1A1
SCHEMBL17741050 0.78 ADORA1 (0.44) ADORA1ADORA2AYTHDC1KDM4EALDH1A1
SCHEMBL13548807 0.78 ADORA2A (0.53) ADORA1ADORA2AYTHDC1KDM4EALDH1A1
SCHEMBL23331997 0.75 ADORA1 (0.42) ADORA1ADORA2AYTHDC1KDM4EALDH1A1
SCHEMBL21849186 0.75 ADORA1 (0.42) ADORA1ADORA2AYTHDC1KDM4EALDH1A1
SCHEMBL13437849 0.75 ADORA1 (0.42) ADORA1ADORA2AYTHDC1KDM4EALDH1A1
SCHEMBL784184 0.75 ADORA2A (0.50) ADORA1ADORA2ACDK1PDE4APDE4B
SCHEMBL24896143 0.75 YTHDC1 (0.51) ADORA1ADORA2AYTHDC1KDM4EALDH1A1
SCHEMBL17898191 0.75 ADORA1 (0.42) ADORA1ADORA2AYTHDC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118786130-A Substituted imidazopyridinyl compounds useful as TLR9 inhibitors 百时美施贵宝公司 2024-10-15 CN disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
EP-3294732-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Gilead Sciences, Inc. (US) 2018-03-21 EP disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US disclosed
US-7713944-B2 Oligomers comprising activated disulfides which bind to plasma proteins and their use for delivery to cells ISIS PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20080207541-A1 Contacting a eukaryotic cell with a mixed backbone oligonucleotide with a first region that forms a substrate for cleavage by an RNase and a second region which does not, and a transition moiety which modulates the transmission of the conformation of said second region into the first region IONIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
EP-1921141-A1 NOVEL ARTIFICIAL BASE PAIR AND USE THEREOF Riken (JP) 2008-05-14 EP disclosed
US-20070276139-A1 Substituted Pixyl Protecting Groups for Oligonucleotide Synthesis ISIS PHARMACEUTICALS, INC. 2007-11-29 US disclosed
EP-1836211-A1 MACROLIDES Pfizer Products Incorporated (US) 2007-09-26 EP disclosed
WO-2006067589-A1 MACROLIDES PFIZER PRODUCTS INC. (US) 2006-06-29 WO disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 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 (4 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-20080207541-A1 Contacting a eukaryotic cell with a mixed backbone oligonucleotide with a first region that forms a substrate for cleavage by an RNase and a second region which does not, and a transition moiety which modulates the transmission of the conformation of said second region into the first region RNASEH1, NSUN3, RNASEL ADORA1 3106/4885ADORA2A 2420/4885YTHDC1 144/4885
US-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 ADORA1 2711/4885ADORA2A 1832/4885YTHDC1 2830/4885
US-20070276139-A1 Substituted Pixyl Protecting Groups for Oligonucleotide Synthesis RPP30, NOP10, NR0B1 ADORA1 690/4885ADORA2A 598/4885YTHDC1 2201/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK ADORA1 3488/4885ADORA2A 3567/4885YTHDC1 4838/4885

“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.