SCHEMBL20610064

SCHEMBL20610064

O=C(Nc1ccccn1)c1cc(Br)ccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.67
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MITF O75030 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 2/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNMA1 Q12791 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1B10 O60218 1/20 0.47

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
SCHEMBL1818730 0.90 SORT1 (0.67) SORT1NPC1RAB9AMITFKMT2A
SCHEMBL30417260 0.90 SORT1 (0.67) SORT1NPC1RAB9AMITFKMT2A
SCHEMBL27486980 0.84 MEN1 (0.63) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL30417052 0.84 MEN1 (0.63) NPC1RAB9AKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL30416887 0.82 MEN1 (0.61) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL30416559 0.81 DEGS1 (0.55) SORT1NPC1RAB9AKMT2AMEN1
SCHEMBL20610198 0.81 DEGS1 (0.55) SORT1NPC1RAB9AKMT2AMEN1
SCHEMBL15063477 0.81 SORT1 (0.61) SORT1NPC1RAB9AMITFKMT2A
SCHEMBL24320131 0.80 SORT1 (0.71) SORT1NPC1RAB9AMITFKMT2A
SCHEMBL20610060 0.80 SORT1 (0.71) SORT1NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869350-B Alkynyl compounds, their preparation and their therapeutic use 赛诺菲 2023-05-02 CN disclosed
US-11078160-B2 Ethynyl compounds, their preparation and their therapeutic use for the treatment of malaria SANOFI (FR) 2021-08-03 US disclosed
US-20200281909-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) 2020-09-10 US disclosed
EP-3649109-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA Sanofi (FR) 2020-05-13 EP disclosed
CN-110869350-A Alkynyl compounds, their preparation and their therapeutic use 赛诺菲 2020-03-06 CN disclosed
WO-2019008027-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA SANOFI (FR) 2019-01-10 WO disclosed
WO-2019008027-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA SANOFI (FR) 2019-01-10 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-11078160-B2 Ethynyl compounds, their preparation and their therapeutic use for the treatment of malaria CYP11B2, CYP11B1, RHOT2 SORT1 4065/4885NPC1 300/4885RAB9A 733/4885
US-20200281909-A1 ETHYNYL COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE FOR THE TREATMENT OF MALARIA CYP11B2, CYP11B1, RHOT2 SORT1 4065/4885NPC1 300/4885RAB9A 733/4885

“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.