SCHEMBL17492276

SCHEMBL17492276

Clc1ccn2cc(-c3cccnc3Cl)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 1/20 0.44
CASP6 P55212 1/20 0.39
SUV39H2 Q9H5I1 13/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL30138150 1.00 RAB9A (0.44) RAB9AKDM4ENPC1MAPTCASP6
SCHEMBL17492326 0.86 RAB9A (0.60) RAB9AKDM4ENPC1MAPTSUV39H2
SCHEMBL17492282 0.83 KDM4E (0.51) RAB9AKDM4ENPC1MAPTSUV39H2
SCHEMBL17492312 0.82 RAB9A (0.56) RAB9AKDM4ENPC1MAPTCASP6
SCHEMBL28401383 0.78 RAB9A (0.45) RAB9AKDM4ENPC1MAPTSUV39H2
SCHEMBL28889673 0.78 RAB9A (0.45) RAB9AKDM4ENPC1MAPTSUV39H2
SCHEMBL28889668 0.77 RAB9A (0.44) RAB9AKDM4ENPC1MAPTSUV39H2
SCHEMBL1691818 0.76 LMNA (0.53) RAB9AKDM4ENPC1MAPTSUV39H2
SCHEMBL22490654 0.75 SUV39H2 (0.38) RAB9AKDM4ENPC1MAPTSUV39H2
SCHEMBL28396792 0.74 TLR9 (0.61) RAB9AKDM4ENPC1PKMALDH1A1

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-10413536-B2 6-alkyny-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-17 US disclosed
US-10413536-B2 6-alkyny-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-17 US disclosed
EP-3180339-B1 6-ALKYNYL-PYRIDINE DERIVATIVES AS SMAC MIMETICS BOEHRINGER INGELHEIM INT (DE) 2018-12-05 EP disclosed
US-20180015082-A1 6-Alkynyl-pyridine Derivatives BOEHRINGER INGELHEIM INT (DE) 2018-01-18 US disclosed
US-20180015082-A1 6-Alkynyl-pyridine Derivatives BOEHRINGER INGELHEIM INT (DE) 2018-01-18 US disclosed
US-20180015082-A1 6-Alkynyl-pyridine Derivatives BOEHRINGER INGELHEIM INT (DE) 2018-01-18 US disclosed
US-9801871-B2 6-alkynyl-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-31 US disclosed
US-9801871-B2 6-alkynyl-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-31 US disclosed
US-9801871-B2 6-alkynyl-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-31 US disclosed
US-20170020859-A1 6-ALKYNYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2017-01-26 US disclosed
US-20170020859-A1 6-ALKYNYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2017-01-26 US disclosed
US-20170020859-A1 6-ALKYNYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2017-01-26 US disclosed
US-9481673-B2 6-alkynyl-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-01 US disclosed
US-9481673-B2 6-alkynyl-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-01 US disclosed
US-9481673-B2 6-alkynyl-pyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-01 US disclosed
WO-2016023858-A1 6-ALKYNYL-PYRIDINE DERIVATIVES AS SMAC MIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-18 WO disclosed
US-20160039814-A1 6-ALKYNYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-11 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-20170020859-A1 6-ALKYNYL-PYRIDINE DERIVATIVES MKI67, TFAM, MCL1 RAB9A 3193/4885KDM4E 1277/4885NPC1 1668/4885
US-20180015082-A1 6-Alkynyl-pyridine Derivatives MKI67, TFAM, MCL1 RAB9A 3193/4885KDM4E 1277/4885NPC1 1668/4885
US-20160039814-A1 6-ALKYNYL-PYRIDINE DERIVATIVES MKI67, TFAM, MCL1 RAB9A 3193/4885KDM4E 1277/4885NPC1 1668/4885
US-10413536-B2 6-alkyny-pyridine derivatives MKI67, TFAM, MCL1 RAB9A 2835/4885KDM4E 925/4885NPC1 1772/4885

“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.