Sugi Predict

Sugi Predict / Compounds / SCHEMBL7394248

SCHEMBL7394248

SCHEMBL7394248

Cc1ccn2cc(Br)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.61
▸ NPC1 O15118 10/20 0.61
▸ RAB9A P51151 10/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ TP53 P04637 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.51
▸ POLB P06746 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PKM P14618 3/20 0.50
▸ GAA P10253 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ GFER P55789 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPT P10636 4/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CYP1A2 P05177 1/20 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
SCHEMBL31528556 0.80 NPC1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL434154 0.80 SMN1; SMN2 (0.61) KDM4ENPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6544490 0.78 SMN1; SMN2 (0.59) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL20602303 0.77 AHR (0.39) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL16806499 0.77 SUV39H2 (0.51) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL8811617 0.77 SMN1; SMN2 (0.57) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL18569907 0.77 SMN1; SMN2 (0.57) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL29373485 0.77 TLR9 (0.47) KDM4ENPC1RAB9ATP53PKM
SCHEMBL972809 0.76 NPC1 (1.00) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL13325910 0.76 SMN1; SMN2 (0.93) KDM4ENPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440164-B 6-alkynyl-pyridine derivatives 勃林格殷格翰国际有限公司 2023-02-17 — — CN disclosed
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
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
WO-2001092257-A1 OXO-IMIDAZOPYRIMIDINE-CARBOXAMIDES AND THEIR USE AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2001-12-06 — — 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 (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 KDM4E 1277/4885NPC1 1668/4885RAB9A 3193/4885
US-20180015082-A1 6-Alkynyl-pyridine Derivatives MKI67, TFAM, MCL1 KDM4E 1277/4885NPC1 1668/4885RAB9A 3193/4885
US-20160039814-A1 6-ALKYNYL-PYRIDINE DERIVATIVES MKI67, TFAM, MCL1 KDM4E 1277/4885NPC1 1668/4885RAB9A 3193/4885
US-10413536-B2 6-alkyny-pyridine derivatives MKI67, TFAM, MCL1 KDM4E 925/4885NPC1 1772/4885RAB9A 2835/4885

“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.