SCHEMBL1426320

SCHEMBL1426320

FC(F)c1cn2ccc(Br)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AHR P35869 2/20 0.36
METTL3 Q86U44 2/20 0.34
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.31

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
SCHEMBL12832006 0.79 SMN1; SMN2 (0.53) KDM4ENPC1RAB9APOLBTP53
SCHEMBL20985962 0.79 TLR9 (0.46) NPC1RAB9ATP53SMN1; SMN2SUV39H2
SCHEMBL12758858 0.77 TP53 (0.33) KDM4ENPC1RAB9APOLBTP53
SCHEMBL31528556 0.76 NPC1 (0.44) KDM4ENPC1RAB9AAHRMETTL3
SCHEMBL1426603 0.73 HDAC1 (0.50) KDM4ENPC1RAB9AAHRMETTL3
SCHEMBL31528509 0.73 METTL3 (0.44) KDM4ENPC1RAB9AAHRMETTL3
SCHEMBL13633452 0.73 PIK3CG (0.56) KDM4ENPC1RAB9AAHRMETTL3
SCHEMBL20600553 0.72 METTL3 (0.44) KDM4ENPC1RAB9AAHRMETTL3
SCHEMBL16212130 0.72 NPC1 (0.60) KDM4ENPC1RAB9APOLBTP53
SCHEMBL30306988 0.70 METTL3 (0.45) KDM4ENPC1RAB9AAHRMETTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US disclosed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US disclosed
US-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-09 US disclosed
US-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-09 US disclosed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US disclosed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US disclosed
EP-3710006-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2020-09-23 EP disclosed
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-07-02 US disclosed
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-07-02 US disclosed
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 US disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 US disclosed
WO-2019000236-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019000237-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019000237-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
WO-2019005588-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO disclosed
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 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 (7 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 KDM4E 2805/4885NPC1 1550/4885RAB9A 1603/4885
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 KDM4E 1107/4885NPC1 3418/4885RAB9A 2931/4885
US-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 KDM4E 1107/4885NPC1 3418/4885RAB9A 2931/4885
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 KDM4E 1107/4885NPC1 3418/4885RAB9A 2931/4885
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB KDM4E 1978/4885NPC1 217/4885RAB9A 919/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB KDM4E 1978/4885NPC1 217/4885RAB9A 919/4885
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 KDM4E 1107/4885NPC1 3418/4885RAB9A 2931/4885

“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.