SCHEMBL16238352

SCHEMBL16238352

COCOc1c(C=O)ccnc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
PTPN1 P18031 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAOA P21397 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 1/20 0.31
HTT P42858 1/20 0.31
TUBB1 Q9H4B7 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL7399409 0.82 CA1 (0.46) CCR1CCR5CCR8CA1CA2
SCHEMBL29935679 0.82 CA1 (0.46) CCR1CCR5CCR8CA1CA2
SCHEMBL14092257 0.82 TRIM24 (0.43) CCR1CCR5CCR8PTPN1CA1
SCHEMBL28052019 0.82 CCR1 (0.37) CCR1CCR5CCR8PTPN1CA1
SCHEMBL16237573 0.82 CCR1 (0.37) CCR1CCR5CCR8PTPN1CA1
SCHEMBL16055152 0.82 CCR1 (0.37) CCR1CCR5CCR8PTPN1CA1
SCHEMBL16237791 0.81 CCR1 (0.36) CCR1CCR5CCR8PTPN1CA1
SCHEMBL16237465 0.78 PDE3B (0.35) CCR1CCR5CCR8CA1CA2
SCHEMBL16237725 0.78 CCR1 (0.34) CCR1CCR5CCR8CA1CA2
SCHEMBL16238416 0.77 DYRK1A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2016-02-18 US disclosed
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2016-02-18 US disclosed
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2016-02-18 US disclosed
EP-2970173-A1 INHIBITORS OF THE KYNURENINE PATHWAY Curadev Pharma Private Ltd. (IN) 2016-01-20 EP disclosed
CN-105209449-A Inhibitors of the kynurenine pathway CURADEV PHARMA PRIVATE LTD 2015-12-30 CN disclosed
WO-2014186035-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2014-11-20 WO disclosed
WO-2014186035-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2014-11-20 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 (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-10294212-B2 Inhibitors of the kynurenine pathway IDO1, IDO2, KYNU CCR1 2301/4885CCR5 2466/4885CCR8 2962/4885
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, IDO2, KYNU CCR1 2301/4885CCR5 2466/4885CCR8 2962/4885
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, KYNU, IDO2 CCR1 2099/4885CCR5 2322/4885CCR8 3291/4885

“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.